N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide

C17H20ClN3O — CID 109181317

IUPACN-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC(C)C)cn2)cc1Cl
InChIInChI=1S/C17H20ClN3O/c1-11(2)9-19-14-6-7-16(20-10-14)17(22)21-13-5-4-12(3)15(18)8-13/h4-8,10-11,19H,9H2,1-3H3,(H,21,22)
InChIKeyVJLIAHAMZMADSA-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.36
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109181317) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109181317
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC(C)C)cn2)cc1Cl
InChIInChI=1S/C17H20ClN3O/c1-11(2)9-19-14-6-7-16(20-10-14)17(22)21-13-5-4-12(3)15(18)8-13/h4-8,10-11,19H,9H2,1-3H3,(H,21,22)
InChIKeyVJLIAHAMZMADSA-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181294
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188558
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (CID 109181317) is N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(NCC(C)C)cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is VJLIAHAMZMADSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11(2)9-19-14-6-7-16(20-10-14)17(22)21-13-5-4-12(3)15(18)8-13/h4-8,10-11,19H,9H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109181317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).