acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride

C164H180BBrCl2N18O11 — CID 160787194

IUPACacetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride
SMILESC.CC1(C)OB(c2ccc(C#N)nc2)OC1(C)C.CC=O.CCOC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCOC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCONC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CN(CCCc1ccccc1)Cc1cccc(-c2ccc(C#N)nc2)c1.Cl.Cl.N#Cc1ccc(-c2cccc(C=O)c2)cn1.N#Cc1ccc(-c2cccc(CNCCCc3ccccc3)c2)cn1.NCCCc1ccccc1.O=Cc1cccc(Br)c1
InChIInChI=1S/C25H29N3O2.2C25H28N2O2.C23H23N3.C22H21N3.C13H8N2O.C12H15BN2O2.C9H13N.C7H5BrO.C2H4O.CH4.2ClH/c1-3-30-27-25(29)24-15-14-23(18-26-24)22-13-7-11-21(17-22)19-28(2)16-8-12-20-9-5-4-6-10-20;2*1-3-29-25(28)24-15-14-23(18-26-24)22-13-7-11-21(17-22)19-27(2)16-8-12-20-9-5-4-6-10-20;1-26(14-6-10-19-7-3-2-4-8-19)18-20-9-5-11-21(15-20)22-12-13-23(16-24)25-17-22;23-15-22-12-11-21(17-25-22)20-10-4-8-19(14-20)16-24-13-5-9-18-6-2-1-3-7-18;14-7-13-5-4-12(8-15-13)11-3-1-2-10(6-11)9-16;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;10-8-4-7-9-5-2-1-3-6-9;8-7-3-1-2-6(4-7)5-9;1-2-3;;;/h4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3,(H,27,29);2*4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3;2-5,7-9,11-13,15,17H,6,10,14,18H2,1H3;1-4,6-8,10-12,14,17,24H,5,9,13,16H2;1-6,8-9H;5-6,8H,1-4H3;1-3,5-6H,4,7-8,10H2;1-5H;2H,1H3;1H4;2*1H
InChIKeyCTWHXDUKIAUBKI-UHFFFAOYSA-N
MW2740.98 g/mol
LogP32.71
Rot. Bonds49

About acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride

acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride (PubChem CID 160787194) has the molecular formula C164H180BBrCl2N18O11 and a molecular weight of 2740.98 g/mol. Its IUPAC name is acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride.

Molecular Properties

Compound Nameacetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride
PubChem CID160787194
Molecular FormulaC164H180BBrCl2N18O11
Molecular Weight2740.98 g/mol
Exact Mass2737.27
IUPAC Nameacetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride
SMILESC.CC1(C)OB(c2ccc(C#N)nc2)OC1(C)C.CC=O.CCOC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCOC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCONC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CN(CCCc1ccccc1)Cc1cccc(-c2ccc(C#N)nc2)c1.Cl.Cl.N#Cc1ccc(-c2cccc(C=O)c2)cn1.N#Cc1ccc(-c2cccc(CNCCCc3ccccc3)c2)cn1.NCCCc1ccccc1.O=Cc1cccc(Br)c1
InChIInChI=1S/C25H29N3O2.2C25H28N2O2.C23H23N3.C22H21N3.C13H8N2O.C12H15BN2O2.C9H13N.C7H5BrO.C2H4O.CH4.2ClH/c1-3-30-27-25(29)24-15-14-23(18-26-24)22-13-7-11-21(17-22)19-28(2)16-8-12-20-9-5-4-6-10-20;2*1-3-29-25(28)24-15-14-23(18-26-24)22-13-7-11-21(17-22)19-27(2)16-8-12-20-9-5-4-6-10-20;1-26(14-6-10-19-7-3-2-4-8-19)18-20-9-5-11-21(15-20)22-12-13-23(16-24)25-17-22;23-15-22-12-11-21(17-25-22)20-10-4-8-19(14-20)16-24-13-5-9-18-6-2-1-3-7-18;14-7-13-5-4-12(8-15-13)11-3-1-2-10(6-11)9-16;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;10-8-4-7-9-5-2-1-3-6-9;8-7-3-1-2-6(4-7)5-9;1-2-3;;;/h4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3,(H,27,29);2*4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3;2-5,7-9,11-13,15,17H,6,10,14,18H2,1H3;1-4,6-8,10-12,14,17,24H,5,9,13,16H2;1-6,8-9H;5-6,8H,1-4H3;1-3,5-6H,4,7-8,10H2;1-5H;2H,1H3;1H4;2*1H
InChIKeyCTWHXDUKIAUBKI-UHFFFAOYSA-N
XLogP32.71
TPSA397.00 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds49
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002740.98
LogP ≤ 532.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride with MolForge

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Related Compounds

3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate;formaldehyde;5-(3-formylphenyl)pyridine-2-carbonitrile;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;hydrochloride
CID 158515977
acetaldehyde;3-bromobenzaldehyde;bis(N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide);ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate;5-(3-formylphenyl)pyridine-2-carbonitrile;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride
CID 158563803
bis(N-ethoxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide);methyl 5-bromopyridine-2-carboxylate;methyl 5-(3-propan-2-ylphenyl)pyridine-2-carboxylate;(3-propan-2-ylphenyl)boronic acid;5-(3-propan-2-ylphenyl)pyridine-2-carboxylic acid
CID 159823669
Carbon dioxide;bis(methyl 6-[bromo(phenyl)methyl]pyridine-2-carboxylate);methyl 6-formylpyridine-2-carboxylate;methyl 6-[hydroxy(phenyl)methyl]pyridine-2-carboxylate;methyl 6-[[16-[(3-methoxycarbonylphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-phenylmethyl]pyridine-2-carboxylate;methyl 3-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)benzoate;phenylboronic acid;3-[[16-[phenyl(pyridin-2-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]benzoic acid
CID 160135262
N-ethoxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;methyl 5-bromopyridine-2-carboxylate;methyl 5-(3-propan-2-ylphenyl)pyridine-2-carboxylate;(3-propan-2-ylphenyl)boronic acid;5-(3-propan-2-ylphenyl)pyridine-2-carboxylic acid
CID 160439663
acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate;5-(3-formylphenyl)pyridine-2-carbonitrile;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;hydrochloride
CID 161756417

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride?
The IUPAC name of acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride (CID 160787194) is acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride.
What is the SMILES notation for acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride?
The canonical SMILES for acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride is C.CC1(C)OB(c2ccc(C#N)nc2)OC1(C)C.CC=O.CCOC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCOC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCONC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CN(CCCc1ccccc1)Cc1cccc(-c2ccc(C#N)nc2)c1.Cl.Cl.N#Cc1ccc(-c2cccc(C=O)c2)cn1.N#Cc1ccc(-c2cccc(CNCCCc3ccccc3)c2)cn1.NCCCc1ccccc1.O=Cc1cccc(Br)c1.
What is the InChIKey of acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride?
The InChIKey is CTWHXDUKIAUBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2.2C25H28N2O2.C23H23N3.C22H21N3.C13H8N2O.C12H15BN2O2.C9H13N.C7H5BrO.C2H4O.CH4.2ClH/c1-3-30-27-25(29)24-15-14-23(18-26-24)22-13-7-11-21(17-22)19-28(2)16-8-12-20-9-5-4-6-10-20;2*1-3-29-25(28)24-15-14-23(18-26-24)22-13-7-11-21(17-22)19-27(2)16-8-12-20-9-5-4-6-10-20;1-26(14-6-10-19-7-3-2-4-8-19)18-20-9-5-11-21(15-20)22-12-13-23(16-24)25-17-22;23-15-22-12-11-21(17-25-22)20-10-4-8-19(14-20)16-24-13-5-9-18-6-2-1-3-7-18;14-7-13-5-4-12(8-15-13)11-3-1-2-10(6-11)9-16;1-11(2)12(3,4)17-13(16-11)9-5-6-10(7-14)15-8-9;10-8-4-7-9-5-2-1-3-6-9;8-7-3-1-2-6(4-7)5-9;1-2-3;;;/h4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3,(H,27,29);2*4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3;2-5,7-9,11-13,15,17H,6,10,14,18H2,1H3;1-4,6-8,10-12,14,17,24H,5,9,13,16H2;1-6,8-9H;5-6,8H,1-4H3;1-3,5-6H,4,7-8,10H2;1-5H;2H,1H3;1H4;2*1H.
What are the key properties of acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride?
acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride has a molecular weight of 2740.98 g/mol, XLogP of 32.71, 49 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-bromobenzaldehyde;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;bis(ethyl 5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxylate);5-(3-formylphenyl)pyridine-2-carbonitrile;methane;5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carbonitrile;3-phenylpropan-1-amine;5-[3-[(3-phenylpropylamino)methyl]phenyl]pyridine-2-carbonitrile;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile;dihydrochloride is sourced from PubChem (CID 160787194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).