1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide

C23H22F2N4O4 — CID 110169174

IUPAC1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCOc1ccc2c(n1)c(=O)c(C(=O)N1CCCC(C(N)=O)C1)cn2Cc1c(F)cccc1F
InChIInChI=1S/C23H22F2N4O4/c1-33-19-8-7-18-20(27-19)21(30)15(23(32)28-9-3-4-13(10-28)22(26)31)12-29(18)11-14-16(24)5-2-6-17(14)25/h2,5-8,12-13H,3-4,9-11H2,1H3,(H2,26,31)
InChIKeyCPWKVNUJNNPHNI-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.07
Rot. Bonds5

About 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide

1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 110169174) has the molecular formula C23H22F2N4O4 and a molecular weight of 456.45 g/mol. Its IUPAC name is 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide
PubChem CID110169174
Molecular FormulaC23H22F2N4O4
Molecular Weight456.45 g/mol
Exact Mass456.16
IUPAC Name1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCOc1ccc2c(n1)c(=O)c(C(=O)N1CCCC(C(N)=O)C1)cn2Cc1c(F)cccc1F
InChIInChI=1S/C23H22F2N4O4/c1-33-19-8-7-18-20(27-19)21(30)15(23(32)28-9-3-4-13(10-28)22(26)31)12-29(18)11-14-16(24)5-2-6-17(14)25/h2,5-8,12-13H,3-4,9-11H2,1H3,(H2,26,31)
InChIKeyCPWKVNUJNNPHNI-UHFFFAOYSA-N
XLogP2.07
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide
CID 94870214
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
(3R)-1-[5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxamide
CID 93008790
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
ethyl (3S)-1-(2-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 81338267
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
CID 65432629
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 60588958
1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
CID 79768262
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
methyl (3S)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxylate
CID 103733467

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide (CID 110169174) is 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide is COc1ccc2c(n1)c(=O)c(C(=O)N1CCCC(C(N)=O)C1)cn2Cc1c(F)cccc1F.
What is the InChIKey of 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is CPWKVNUJNNPHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O4/c1-33-19-8-7-18-20(27-19)21(30)15(23(32)28-9-3-4-13(10-28)22(26)31)12-29(18)11-14-16(24)5-2-6-17(14)25/h2,5-8,12-13H,3-4,9-11H2,1H3,(H2,26,31).
What are the key properties of 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide?
1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 110169174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).