N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide

C21H20N6O — CID 138589108

IUPACN-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4cncc(C#N)c4)cnc3cn2)CC1
InChIInChI=1S/C21H20N6O/c1-27-4-2-15(3-5-27)21(28)26-20-8-16-7-18(12-24-19(16)13-25-20)17-6-14(9-22)10-23-11-17/h6-8,10-13,15H,2-5H2,1H3,(H,25,26,28)
InChIKeyXSCCPJMPROIQLA-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.84
Rot. Bonds3

About N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide

N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 138589108) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
PubChem CID138589108
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4cncc(C#N)c4)cnc3cn2)CC1
InChIInChI=1S/C21H20N6O/c1-27-4-2-15(3-5-27)21(28)26-20-8-16-7-18(12-24-19(16)13-25-20)17-6-14(9-22)10-23-11-17/h6-8,10-13,15H,2-5H2,1H3,(H,25,26,28)
InChIKeyXSCCPJMPROIQLA-UHFFFAOYSA-N
XLogP2.84
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138586735
N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
CID 138587041
1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138590247
N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
CID 138586870
N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
CID 138586260
N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
CID 147567938
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
N-[3-(2-methyl-1,3-oxazol-4-yl)-1,7-naphthyridin-6-yl]-4-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 138588117
N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
CID 138588999
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide;molecular hydrogen
CID 142583654

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide (CID 138589108) is N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc3cc(-c4cncc(C#N)c4)cnc3cn2)CC1.
What is the InChIKey of N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is XSCCPJMPROIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27-4-2-15(3-5-27)21(28)26-20-8-16-7-18(12-24-19(16)13-25-20)17-6-14(9-22)10-23-11-17/h6-8,10-13,15H,2-5H2,1H3,(H,25,26,28).
What are the key properties of N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide?
N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 138589108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).