N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C25H22FN3O2 — CID 7620626

IUPACN-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H22FN3O2/c1-2-28(16-18-7-4-3-5-8-18)24(30)22-15-20-9-6-14-27-23(20)29(25(22)31)17-19-10-12-21(26)13-11-19/h3-15H,2,16-17H2,1H3
InChIKeyRWWDVZQCKBHJOF-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.25
Rot. Bonds6

About N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620626) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620626
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC NameN-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H22FN3O2/c1-2-28(16-18-7-4-3-5-8-18)24(30)22-15-20-9-6-14-27-23(20)29(25(22)31)17-19-10-12-21(26)13-11-19/h3-15H,2,16-17H2,1H3
InChIKeyRWWDVZQCKBHJOF-UHFFFAOYSA-N
XLogP4.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide
CID 43996238
methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate
CID 43996083
N-tert-butyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620678
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844208
N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 43996136
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620827
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
N-[(2R)-5-(diethylamino)pentan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844200

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620626) is N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is RWWDVZQCKBHJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-2-28(16-18-7-4-3-5-8-18)24(30)22-15-20-9-6-14-27-23(20)29(25(22)31)17-19-10-12-21(26)13-11-19/h3-15H,2,16-17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).