N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C20H17FN4O2 — CID 7620906

IUPACN-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(CCC#N)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C20H17FN4O2/c1-24(11-5-9-22)19(26)16-12-14-7-4-10-23-18(14)25(20(16)27)13-15-6-2-3-8-17(15)21/h2-4,6-8,10,12H,5,11,13H2,1H3
InChIKeyPFIKHPZNZNXAJZ-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.57
Rot. Bonds5

About N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620906) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620906
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(CCC#N)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C20H17FN4O2/c1-24(11-5-9-22)19(26)16-12-14-7-4-10-23-18(14)25(20(16)27)13-15-6-2-3-8-17(15)21/h2-4,6-8,10,12H,5,11,13H2,1H3
InChIKeyPFIKHPZNZNXAJZ-UHFFFAOYSA-N
XLogP2.57
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620857
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996135
N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 43996136
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one
CID 7620901
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
1-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620982
1-[(2-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-2-one
CID 7620895
1-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621080
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620906) is N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is CN(CCC#N)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PFIKHPZNZNXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-24(11-5-9-22)19(26)16-12-14-7-4-10-23-18(14)25(20(16)27)13-15-6-2-3-8-17(15)21/h2-4,6-8,10,12H,5,11,13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).