5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide

C17H20ClN3O — CID 109195211

IUPAC5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NC(C)(C)C)cn1
InChIInChI=1S/C17H20ClN3O/c1-11-9-12(18)5-7-14(11)20-16(22)15-8-6-13(10-19-15)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyPTGNISJDQHYVNW-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.51
Rot. Bonds3

About 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide

5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 109195211) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID109195211
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NC(C)(C)C)cn1
InChIInChI=1S/C17H20ClN3O/c1-11-9-12(18)5-7-14(11)20-16(22)15-8-6-13(10-19-15)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyPTGNISJDQHYVNW-UHFFFAOYSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109195188
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
2-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109263001
N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
CID 109195255
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
N-(4-chloro-2-methylphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190315

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 109195211) is 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(C)(C)C)cn1.
What is the InChIKey of 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is PTGNISJDQHYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11-9-12(18)5-7-14(11)20-16(22)15-8-6-13(10-19-15)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22).
What are the key properties of 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).