6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C28H24FN5O2 — CID 163883333

IUPAC6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCCCC2)c(=O)n3Cc2ccc(F)cc2)nc1
InChIInChI=1S/C28H24FN5O2/c29-22-9-6-18(7-10-22)17-34-26-20(12-21(16-32-26)25-11-8-19(14-30)15-31-25)13-24(28(34)36)27(35)33-23-4-2-1-3-5-23/h6-13,15-16,23H,1-5,17H2,(H,33,35)
InChIKeyPVEOAZXTFUXBCQ-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.58
Rot. Bonds5

About 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 163883333) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID163883333
Molecular FormulaC28H24FN5O2
Molecular Weight481.53 g/mol
Exact Mass481.19
IUPAC Name6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCCCC2)c(=O)n3Cc2ccc(F)cc2)nc1
InChIInChI=1S/C28H24FN5O2/c29-22-9-6-18(7-10-22)17-34-26-20(12-21(16-32-26)25-11-8-19(14-30)15-31-25)13-24(28(34)36)27(35)33-23-4-2-1-3-5-23/h6-13,15-16,23H,1-5,17H2,(H,33,35)
InChIKeyPVEOAZXTFUXBCQ-UHFFFAOYSA-N
XLogP4.58
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

Cdk12-IN-2
CID 134813906
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941
N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157745
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
6-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719607
N-(Adamantan-1-yl)-1-(4-fluorobutyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 164946848
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138
N-cyclohexyl-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620714
N-Cyclohexyl-1-butyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157661
N-(4-Fluorophenylethyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157663
N-(4-Methylcyclohexyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157744

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 163883333) is 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is N#Cc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CCCCC2)c(=O)n3Cc2ccc(F)cc2)nc1.
What is the InChIKey of 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PVEOAZXTFUXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O2/c29-22-9-6-18(7-10-22)17-34-26-20(12-21(16-32-26)25-11-8-19(14-30)15-31-25)13-24(28(34)36)27(35)33-23-4-2-1-3-5-23/h6-13,15-16,23H,1-5,17H2,(H,33,35).
What are the key properties of 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 163883333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).