N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide

C16H12ClN3O — CID 91064631

IUPACN-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C16H12ClN3O/c1-10-8-12(17)3-5-13(10)20-16(21)15-4-2-11-9-18-7-6-14(11)19-15/h2-9H,1H3,(H,20,21)
InChIKeyQNLXYGFBKUWWGO-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide

N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 91064631) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide
PubChem CID91064631
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc2cnccc2n1
InChIInChI=1S/C16H12ClN3O/c1-10-8-12(17)3-5-13(10)20-16(21)15-4-2-11-9-18-7-6-14(11)19-15/h2-9H,1H3,(H,20,21)
InChIKeyQNLXYGFBKUWWGO-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(4-chloro-2-methylphenyl)quinoline-7-carboxamide
CID 142343740
5-fluoro-6-methyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 146080352
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide (CID 91064631) is N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc2cnccc2n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is QNLXYGFBKUWWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-8-12(17)3-5-13(10)20-16(21)15-4-2-11-9-18-7-6-14(11)19-15/h2-9H,1H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 91064631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).