1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one

C23H25N3O2 — CID 7620369

IUPAC1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3CCC[C@@H](C)C3)cc3cccnc32)cc1
InChIInChI=1S/C23H25N3O2/c1-16-7-9-18(10-8-16)15-26-21-19(6-3-11-24-21)13-20(23(26)28)22(27)25-12-4-5-17(2)14-25/h3,6-11,13,17H,4-5,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyIVTKVVYTRLBQCE-QGZVFWFLSA-N
MW375.47 g/mol
LogP3.63
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one

1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one (PubChem CID 7620369) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
PubChem CID7620369
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3CCC[C@@H](C)C3)cc3cccnc32)cc1
InChIInChI=1S/C23H25N3O2/c1-16-7-9-18(10-8-16)15-26-21-19(6-3-11-24-21)13-20(23(26)28)22(27)25-12-4-5-17(2)14-25/h3,6-11,13,17H,4-5,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyIVTKVVYTRLBQCE-QGZVFWFLSA-N
XLogP3.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995935
methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620392
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
3-(4-benzhydrylpiperazine-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995937
N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620470
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995972
N-cyclohexyl-N-ethyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620356
1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348
methyl 1-[1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996244

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one (CID 7620369) is 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one is Cc1ccc(Cn2c(=O)c(C(=O)N3CCC[C@@H](C)C3)cc3cccnc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
The InChIKey is IVTKVVYTRLBQCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-7-9-18(10-8-16)15-26-21-19(6-3-11-24-21)13-20(23(26)28)22(27)25-12-4-5-17(2)14-25/h3,6-11,13,17H,4-5,12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 7620369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).