N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide

C16H16ClN3O2 — CID 162376955

IUPACN-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c[nH]c(=O)cc3C2)cc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-10-2-3-13(7-14(10)17)19-16(22)20-5-4-11-8-18-15(21)6-12(11)9-20/h2-3,6-8H,4-5,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyBKXVECLWRDNLOQ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.93
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide (PubChem CID 162376955) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide
PubChem CID162376955
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c[nH]c(=O)cc3C2)cc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-10-2-3-13(7-14(10)17)19-16(22)20-5-4-11-8-18-15(21)6-12(11)9-20/h2-3,6-8H,4-5,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyBKXVECLWRDNLOQ-UHFFFAOYSA-N
XLogP2.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,5-dichloro-2-pyridinyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
CID 169209029
N-(4-acetyl-3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 20716372
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 162376975
N-(3,4-dimethylphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869733
6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylic acid
CID 69401533
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
CID 81458427
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
CID 24612421
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxamide
CID 162376969

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide (CID 162376955) is N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide is Cc1ccc(NC(=O)N2CCc3c[nH]c(=O)cc3C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide?
The InChIKey is BKXVECLWRDNLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-10-2-3-13(7-14(10)17)19-16(22)20-5-4-11-8-18-15(21)6-12(11)9-20/h2-3,6-8H,4-5,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 162376955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).