6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C42H46N12O3 — CID 159111874

IUPAC6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)CC1.N#Cc1c(-c2cnc3c(c2)CCCN3C(N)=O)cncc1C1CCNCC1
InChIInChI=1S/C22H24N6O2.C20H22N6O/c1-14(29)27-7-4-15(5-8-27)19-12-25-13-20(18(19)10-23)17-9-16-3-2-6-28(22(24)30)21(16)26-11-17;21-9-16-17(13-3-5-23-6-4-13)11-24-12-18(16)15-8-14-2-1-7-26(20(22)27)19(14)25-10-15/h9,11-13,15H,2-8H2,1H3,(H2,24,30);8,10-13,23H,1-7H2,(H2,22,27)
InChIKeyKEPIILDWEOIFKD-UHFFFAOYSA-N
MW766.91 g/mol
LogP4.89
Rot. Bonds4

About 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159111874) has the molecular formula C42H46N12O3 and a molecular weight of 766.91 g/mol. Its IUPAC name is 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID159111874
Molecular FormulaC42H46N12O3
Molecular Weight766.91 g/mol
Exact Mass766.38
IUPAC Name6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)CC1.N#Cc1c(-c2cnc3c(c2)CCCN3C(N)=O)cncc1C1CCNCC1
InChIInChI=1S/C22H24N6O2.C20H22N6O/c1-14(29)27-7-4-15(5-8-27)19-12-25-13-20(18(19)10-23)17-9-16-3-2-6-28(22(24)30)21(16)26-11-17;21-9-16-17(13-3-5-23-6-4-13)11-24-12-18(16)15-8-14-2-1-7-26(20(22)27)19(14)25-10-15/h9,11-13,15H,2-8H2,1H3,(H2,24,30);8,10-13,23H,1-7H2,(H2,22,27)
InChIKeyKEPIILDWEOIFKD-UHFFFAOYSA-N
XLogP4.89
TPSA224.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.91
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Related Compounds

N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid Methylamide
CID 46900234
6-[5-[3-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305265
6-[5-[4-(cyanomethyl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305269
6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305368
6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305420
6-[5-(cyanomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305616
6-(5-cyano-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305715
6-[5-(Acetylamino-methyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 86305806
N-[(1R)-1-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]ethyl]acetamide
CID 117667084
6-[5-(2-cyanopropan-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667096
6-[5-(1-cyanoethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667105

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159111874) is 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)N1CCC(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2C#N)CC1.N#Cc1c(-c2cnc3c(c2)CCCN3C(N)=O)cncc1C1CCNCC1.
What is the InChIKey of 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KEPIILDWEOIFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2.C20H22N6O/c1-14(29)27-7-4-15(5-8-27)19-12-25-13-20(18(19)10-23)17-9-16-3-2-6-28(22(24)30)21(16)26-11-17;21-9-16-17(13-3-5-23-6-4-13)11-24-12-18(16)15-8-14-2-1-7-26(20(22)27)19(14)25-10-15/h9,11-13,15H,2-8H2,1H3,(H2,24,30);8,10-13,23H,1-7H2,(H2,22,27).
What are the key properties of 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 766.91 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-acetylpiperidin-4-yl)-4-cyano-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-cyano-5-piperidin-4-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159111874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).