N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide

C17H19ClN2O — CID 170149232

IUPACN-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Cl)c2)cc1C(C)(C)C
InChIInChI=1S/C17H19ClN2O/c1-11-5-6-14(8-15(11)17(2,3)4)20-16(21)12-7-13(18)10-19-9-12/h5-10H,1-4H3,(H,20,21)
InChIKeyDHACFQXLQXDNGV-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.59
Rot. Bonds2

About N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide

N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide (PubChem CID 170149232) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide
PubChem CID170149232
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Cl)c2)cc1C(C)(C)C
InChIInChI=1S/C17H19ClN2O/c1-11-5-6-14(8-15(11)17(2,3)4)20-16(21)12-7-13(18)10-19-9-12/h5-10H,1-4H3,(H,20,21)
InChIKeyDHACFQXLQXDNGV-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
3-N-(3-chloro-4-methylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107869
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108356
N-(3,5-dichlorophenyl)-5-methylpyridine-3-carboxamide
CID 143700451
N-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229990
5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106913

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide (CID 170149232) is N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Cl)c2)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide?
The InChIKey is DHACFQXLQXDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-5-6-14(8-15(11)17(2,3)4)20-16(21)12-7-13(18)10-19-9-12/h5-10H,1-4H3,(H,20,21).
What are the key properties of N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide?
N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 170149232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).