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

C22H24FN3O2 — CID 7620857

IUPAC1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O)C(C)C
InChIInChI=1S/C22H24FN3O2/c1-14(2)26(15(3)4)22(28)18-12-16-9-7-11-24-20(16)25(21(18)27)13-17-8-5-6-10-19(17)23/h5-12,14-15H,13H2,1-4H3
InChIKeyGUXLQEOBTJGKKC-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.84
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 7620857) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID7620857
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O)C(C)C
InChIInChI=1S/C22H24FN3O2/c1-14(2)26(15(3)4)22(28)18-12-16-9-7-11-24-20(16)25(21(18)27)13-17-8-5-6-10-19(17)23/h5-12,14-15H,13H2,1-4H3
InChIKeyGUXLQEOBTJGKKC-UHFFFAOYSA-N
XLogP3.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 43996136
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
1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348
N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620906
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
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]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975
1-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620982
1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 7620857) is 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide is CC(C)N(C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O)C(C)C.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is GUXLQEOBTJGKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14(2)26(15(3)4)22(28)18-12-16-9-7-11-24-20(16)25(21(18)27)13-17-8-5-6-10-19(17)23/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).