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

C26H24FN3O2 — CID 43996136

IUPACN-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C26H24FN3O2/c1-18(2)29(16-19-9-4-3-5-10-19)25(31)22-15-20-12-8-14-28-24(20)30(26(22)32)17-21-11-6-7-13-23(21)27/h3-15,18H,16-17H2,1-2H3
InChIKeyJFRXUIJNJBCBPQ-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.63
Rot. Bonds6

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

N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 43996136) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID43996136
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC NameN-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C26H24FN3O2/c1-18(2)29(16-19-9-4-3-5-10-19)25(31)22-15-20-12-8-14-28-24(20)30(26(22)32)17-21-11-6-7-13-23(21)27/h3-15,18H,16-17H2,1-2H3
InChIKeyJFRXUIJNJBCBPQ-UHFFFAOYSA-N
XLogP4.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996135
N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620906
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620626
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 43996144
1-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620982
1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one
CID 7620901
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 43996136) is N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is JFRXUIJNJBCBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-18(2)29(16-19-9-4-3-5-10-19)25(31)22-15-20-12-8-14-28-24(20)30(26(22)32)17-21-11-6-7-13-23(21)27/h3-15,18H,16-17H2,1-2H3.
What are the key properties of N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).