4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride

C128H147Cl4N19O14 — CID 158038501

IUPAC4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride
SMILESCCONC(=O)c1cc(NCC2CCN(Cc3ccccc3)CC2)ccn1.CCONC(=O)c1cc(NCCCc2cccc(Cl)c2)ccn1.CCONC(=O)c1cc(NCc2cccc(CCc3ccccc3)c2)ccn1.CCONC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCONC(=O)c1cccc(C)n1.Cc1cccc(C(=O)NOCc2ccccc2)n1.Cl.Cl.Cl.O=C(NOCc1ccccc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C25H29N3O2.C23H25N3O2.C21H28N4O2.C19H16N2O2.C17H20ClN3O2.C14H14N2O2.C9H12N2O2.3ClH/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;1-2-28-26-23(27)22-16-21(13-14-24-22)25-17-20-10-6-9-19(15-20)12-11-18-7-4-3-5-8-18;1-2-27-24-21(26)20-14-19(8-11-22-20)23-15-17-9-12-25(13-10-17)16-18-6-4-3-5-7-18;22-19(21-23-14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)16-9-5-2-6-10-16;1-2-23-21-17(22)16-12-15(8-10-20-16)19-9-4-6-13-5-3-7-14(18)11-13;1-11-6-5-9-13(15-11)14(17)16-18-10-12-7-3-2-4-8-12;1-3-13-11-9(12)8-6-4-5-7(2)10-8;;;/h4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3,(H,27,29);3-10,13-16H,2,11-12,17H2,1H3,(H,24,25)(H,26,27);3-8,11,14,17H,2,9-10,12-13,15-16H2,1H3,(H,22,23)(H,24,26);1-13H,14H2,(H,21,22);3,5,7-8,10-12H,2,4,6,9H2,1H3,(H,19,20)(H,21,22);2-9H,10H2,1H3,(H,16,17);4-6H,3H2,1-2H3,(H,11,12);3*1H
InChIKeyOSLDPVJZVBNNOG-UHFFFAOYSA-N
MW2317.51 g/mol
LogP23.40
Rot. Bonds47

About 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride

4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride (PubChem CID 158038501) has the molecular formula C128H147Cl4N19O14 and a molecular weight of 2317.51 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride
PubChem CID158038501
Molecular FormulaC128H147Cl4N19O14
Molecular Weight2317.51 g/mol
Exact Mass2314.01
IUPAC Name4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride
SMILESCCONC(=O)c1cc(NCC2CCN(Cc3ccccc3)CC2)ccn1.CCONC(=O)c1cc(NCCCc2cccc(Cl)c2)ccn1.CCONC(=O)c1cc(NCc2cccc(CCc3ccccc3)c2)ccn1.CCONC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCONC(=O)c1cccc(C)n1.Cc1cccc(C(=O)NOCc2ccccc2)n1.Cl.Cl.Cl.O=C(NOCc1ccccc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C25H29N3O2.C23H25N3O2.C21H28N4O2.C19H16N2O2.C17H20ClN3O2.C14H14N2O2.C9H12N2O2.3ClH/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;1-2-28-26-23(27)22-16-21(13-14-24-22)25-17-20-10-6-9-19(15-20)12-11-18-7-4-3-5-8-18;1-2-27-24-21(26)20-14-19(8-11-22-20)23-15-17-9-12-25(13-10-17)16-18-6-4-3-5-7-18;22-19(21-23-14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)16-9-5-2-6-10-16;1-2-23-21-17(22)16-12-15(8-10-20-16)19-9-4-6-13-5-3-7-14(18)11-13;1-11-6-5-9-13(15-11)14(17)16-18-10-12-7-3-2-4-8-12;1-3-13-11-9(12)8-6-4-5-7(2)10-8;;;/h4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3,(H,27,29);3-10,13-16H,2,11-12,17H2,1H3,(H,24,25)(H,26,27);3-8,11,14,17H,2,9-10,12-13,15-16H2,1H3,(H,22,23)(H,24,26);1-13H,14H2,(H,21,22);3,5,7-8,10-12H,2,4,6,9H2,1H3,(H,19,20)(H,21,22);2-9H,10H2,1H3,(H,16,17);4-6H,3H2,1-2H3,(H,11,12);3*1H
InChIKeyOSLDPVJZVBNNOG-UHFFFAOYSA-N
XLogP23.40
TPSA401.11 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds47
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002317.51
LogP ≤ 523.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide
CID 157242374
[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis(4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-methylaniline);4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methyl 4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoate
CID 157766255
N-benzyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-benzyl-N-phenylmethoxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-ethoxy-N-methyl-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-ethoxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-methyl-5-phenyl-N-phenylmethoxypyridine-2-carboxamide;N-phenylmethoxy-4-piperidin-1-ylpyridine-2-carboxamide;N-phenylmethoxy-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 159082717
3-(3-chlorophenyl)propanal;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;methyl 4-aminopyridine-2-carboxylate;methyl 4-[3-(3-chlorophenyl)propylamino]pyridine-2-carboxylate
CID 159575836
3-(3-chlorophenyl)propanal;bis(4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide);methyl 4-aminopyridine-2-carboxylate;methyl 4-[3-(3-chlorophenyl)propylamino]pyridine-2-carboxylate
CID 159634586
N-benzyl-4-[benzyl(methyl)amino]-N-hydroxypyridine-2-carboxamide;N-benzyl-4-(3-carbamoylphenyl)-N-hydroxypyridine-2-carboxamide;N-benzyl-4-(3,4-dichlorophenyl)-N-hydroxypyridine-2-carboxamide;N-benzyl-4-[4-(dimethylamino)piperidin-1-yl]-N-hydroxypyridine-2-carboxamide;N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide;N-[(4-fluorophenyl)methyl]-N-hydroxy-4-phenylpyridine-2-carboxamide;N-methyl-5-phenylpyridine-2-carboxamide
CID 160297602
N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,6-dimethyl-N-phenylmethoxypyridine-2-carboxamide;N-ethoxy-N,6-dimethylpyridine-2-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide
CID 160718729
N-benzyl-4-(4-chlorophenyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-N-(cyclohexylmethyl)-3-(methoxymethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N-(pyridin-2-ylmethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N-(pyridin-3-ylmethyl)benzamide;4-(4-chlorophenyl)-3-(methoxymethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 161547505

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride (CID 158038501) is 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride is CCONC(=O)c1cc(NCC2CCN(Cc3ccccc3)CC2)ccn1.CCONC(=O)c1cc(NCCCc2cccc(Cl)c2)ccn1.CCONC(=O)c1cc(NCc2cccc(CCc3ccccc3)c2)ccn1.CCONC(=O)c1ccc(-c2cccc(CN(C)CCCc3ccccc3)c2)cn1.CCONC(=O)c1cccc(C)n1.Cc1cccc(C(=O)NOCc2ccccc2)n1.Cl.Cl.Cl.O=C(NOCc1ccccc1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride?
The InChIKey is OSLDPVJZVBNNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2.C23H25N3O2.C21H28N4O2.C19H16N2O2.C17H20ClN3O2.C14H14N2O2.C9H12N2O2.3ClH/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;1-2-28-26-23(27)22-16-21(13-14-24-22)25-17-20-10-6-9-19(15-20)12-11-18-7-4-3-5-8-18;1-2-27-24-21(26)20-14-19(8-11-22-20)23-15-17-9-12-25(13-10-17)16-18-6-4-3-5-7-18;22-19(21-23-14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)16-9-5-2-6-10-16;1-2-23-21-17(22)16-12-15(8-10-20-16)19-9-4-6-13-5-3-7-14(18)11-13;1-11-6-5-9-13(15-11)14(17)16-18-10-12-7-3-2-4-8-12;1-3-13-11-9(12)8-6-4-5-7(2)10-8;;;/h4-7,9-11,13-15,17-18H,3,8,12,16,19H2,1-2H3,(H,27,29);3-10,13-16H,2,11-12,17H2,1H3,(H,24,25)(H,26,27);3-8,11,14,17H,2,9-10,12-13,15-16H2,1H3,(H,22,23)(H,24,26);1-13H,14H2,(H,21,22);3,5,7-8,10-12H,2,4,6,9H2,1H3,(H,19,20)(H,21,22);2-9H,10H2,1H3,(H,16,17);4-6H,3H2,1-2H3,(H,11,12);3*1H.
What are the key properties of 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride?
4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride has a molecular weight of 2317.51 g/mol, XLogP of 23.40, 47 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)methylamino]-N-ethoxypyridine-2-carboxamide;4-[3-(3-chlorophenyl)propylamino]-N-ethoxypyridine-2-carboxamide;N-ethoxy-5-[3-[[methyl(3-phenylpropyl)amino]methyl]phenyl]pyridine-2-carboxamide;N-ethoxy-6-methylpyridine-2-carboxamide;N-ethoxy-4-[[3-(2-phenylethyl)phenyl]methylamino]pyridine-2-carboxamide;6-methyl-N-phenylmethoxypyridine-2-carboxamide;5-phenyl-N-phenylmethoxypyridine-2-carboxamide;trihydrochloride is sourced from PubChem (CID 158038501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).