N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide

C17H13ClN2O — CID 102979737

IUPACN-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C17H13ClN2O/c1-11-9-15(16(18)19-10-11)20-17(21)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,20,21)
InChIKeyFKJOKNGBGRABCY-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.45
Rot. Bonds2

About N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide

N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide (PubChem CID 102979737) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
PubChem CID102979737
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
SMILESCc1cnc(Cl)c(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C17H13ClN2O/c1-11-9-15(16(18)19-10-11)20-17(21)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,20,21)
InChIKeyFKJOKNGBGRABCY-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
CID 43259068
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide (CID 102979737) is N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide is Cc1cnc(Cl)c(NC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide?
The InChIKey is FKJOKNGBGRABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-9-15(16(18)19-10-11)20-17(21)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide?
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide is sourced from PubChem (CID 102979737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).