N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C134H155N19O15S — CID 158106379

IUPACN-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(COc2ccccc2)nc1.COCCCNC(=O)c1ccc(COc2ccccc2)nc1.Cc1ccc(CCNC(=O)c2ccc(COc3ccccc3)nc2)cc1.O=C(NCCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(NCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(NCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(Nc1nccs1)c1ccc(COc2ccccc2)nc1
InChIInChI=1S/C22H22N2O2.C21H27N3O2.2C20H25N3O2.C18H23N3O2.C17H20N2O3.C16H13N3O2S/c1-17-7-9-18(10-8-17)13-14-23-22(25)19-11-12-20(24-15-19)16-26-21-5-3-2-4-6-21;25-21(22-12-7-15-24-13-5-2-6-14-24)18-10-11-19(23-16-18)17-26-20-8-3-1-4-9-20;2*24-20(21-11-14-23-12-5-2-6-13-23)17-9-10-18(22-15-17)16-25-19-7-3-1-4-8-19;1-21(2)12-6-11-19-18(22)15-9-10-16(20-13-15)14-23-17-7-4-3-5-8-17;1-21-11-5-10-18-17(20)14-8-9-15(19-12-14)13-22-16-6-3-2-4-7-16;20-15(19-16-17-8-9-22-16)12-6-7-13(18-10-12)11-21-14-4-2-1-3-5-14/h2-12,15H,13-14,16H2,1H3,(H,23,25);1,3-4,8-11,16H,2,5-7,12-15,17H2,(H,22,25);2*1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,21,24);3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,19,22);2-4,6-9,12H,5,10-11,13H2,1H3,(H,18,20);1-10H,11H2,(H,17,19,20)
InChIKeyFPWSAMRZOITNIG-UHFFFAOYSA-N
MW2303.90 g/mol
LogP21.10
Rot. Bonds50

About N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 158106379) has the molecular formula C134H155N19O15S and a molecular weight of 2303.90 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID158106379
Molecular FormulaC134H155N19O15S
Molecular Weight2303.90 g/mol
Exact Mass2302.17
IUPAC NameN-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(COc2ccccc2)nc1.COCCCNC(=O)c1ccc(COc2ccccc2)nc1.Cc1ccc(CCNC(=O)c2ccc(COc3ccccc3)nc2)cc1.O=C(NCCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(NCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(NCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(Nc1nccs1)c1ccc(COc2ccccc2)nc1
InChIInChI=1S/C22H22N2O2.C21H27N3O2.2C20H25N3O2.C18H23N3O2.C17H20N2O3.C16H13N3O2S/c1-17-7-9-18(10-8-17)13-14-23-22(25)19-11-12-20(24-15-19)16-26-21-5-3-2-4-6-21;25-21(22-12-7-15-24-13-5-2-6-14-24)18-10-11-19(23-16-18)17-26-20-8-3-1-4-9-20;2*24-20(21-11-14-23-12-5-2-6-13-23)17-9-10-18(22-15-17)16-25-19-7-3-1-4-8-19;1-21(2)12-6-11-19-18(22)15-9-10-16(20-13-15)14-23-17-7-4-3-5-8-17;1-21-11-5-10-18-17(20)14-8-9-15(19-12-14)13-22-16-6-3-2-4-7-16;20-15(19-16-17-8-9-22-16)12-6-7-13(18-10-12)11-21-14-4-2-1-3-5-14/h2-12,15H,13-14,16H2,1H3,(H,23,25);1,3-4,8-11,16H,2,5-7,12-15,17H2,(H,22,25);2*1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,21,24);3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,19,22);2-4,6-9,12H,5,10-11,13H2,1H3,(H,18,20);1-10H,11H2,(H,17,19,20)
InChIKeyFPWSAMRZOITNIG-UHFFFAOYSA-N
XLogP21.10
TPSA393.62 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002303.90
LogP ≤ 521.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

8-[2-[(1-benzylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]-2-[(4-fluorophenoxy)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137053301
N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(cyclopropylmethyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide;6-(phenoxymethyl)-N-(1-phenylcyclobutyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 157574907
2-[3-(1,1-difluoroethoxy)phenyl]-N-pyrazin-2-ylquinoline-8-carboxamide;2-[3-(1,1-difluoroethoxy)phenyl]-N-pyridin-2-ylquinoline-8-carboxamide;2-[3-(1,1-difluoroethoxy)phenyl]-N-pyridin-3-ylquinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrazin-2-ylquinoline-8-carboxamide;2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 162222510
N-(2-fluorophenyl)-2-[[3-methoxy-6-[(10S)-12-prop-2-enoyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 177777135
N-(2-fluorophenyl)-2-[[3-methoxy-6-[5-morpholin-4-yl-6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 178001918
N-(2-fluorophenyl)-2-[[3-methoxy-6-[(10R)-12-prop-2-enoyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 178002103
6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92621780
N,N-dimethyl-4-[(9S)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide
CID 58091570
N,N-dimethyl-4-[(9R)-13-methyl-9-[2-methyl-1-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-5-yl]benzamide
CID 87180163
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CID 117873864
8-(2-Anilino-1,3-thiazol-4-yl)-2-[(4-benzylphenoxy)methyl]-3-[(4-methoxy-2-methylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 126628684
8-(2-anilino-1,3-thiazol-4-yl)-2-[(4-benzylphenoxy)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137053248

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 158106379) is N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(COc2ccccc2)nc1.COCCCNC(=O)c1ccc(COc2ccccc2)nc1.Cc1ccc(CCNC(=O)c2ccc(COc3ccccc3)nc2)cc1.O=C(NCCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(NCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(NCCN1CCCCC1)c1ccc(COc2ccccc2)nc1.O=C(Nc1nccs1)c1ccc(COc2ccccc2)nc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FPWSAMRZOITNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.C21H27N3O2.2C20H25N3O2.C18H23N3O2.C17H20N2O3.C16H13N3O2S/c1-17-7-9-18(10-8-17)13-14-23-22(25)19-11-12-20(24-15-19)16-26-21-5-3-2-4-6-21;25-21(22-12-7-15-24-13-5-2-6-14-24)18-10-11-19(23-16-18)17-26-20-8-3-1-4-9-20;2*24-20(21-11-14-23-12-5-2-6-13-23)17-9-10-18(22-15-17)16-25-19-7-3-1-4-8-19;1-21(2)12-6-11-19-18(22)15-9-10-16(20-13-15)14-23-17-7-4-3-5-8-17;1-21-11-5-10-18-17(20)14-8-9-15(19-12-14)13-22-16-6-3-2-4-7-16;20-15(19-16-17-8-9-22-16)12-6-7-13(18-10-12)11-21-14-4-2-1-3-5-14/h2-12,15H,13-14,16H2,1H3,(H,23,25);1,3-4,8-11,16H,2,5-7,12-15,17H2,(H,22,25);2*1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,21,24);3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,19,22);2-4,6-9,12H,5,10-11,13H2,1H3,(H,18,20);1-10H,11H2,(H,17,19,20).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 2303.90 g/mol, XLogP of 21.10, 50 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-methoxypropyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[2-(4-methylphenyl)ethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;bis(6-(phenoxymethyl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide);6-(phenoxymethyl)-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide;6-(phenoxymethyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158106379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).