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

C17H21N3O — CID 109216961

IUPAC4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)(C)C)ccn2)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)19-16(21)15-11-14(9-10-18-15)20-17(2,3)4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyLNGRECVYWJUKLQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.85
Rot. Bonds3

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

4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109216961) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109216961
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)(C)C)ccn2)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)19-16(21)15-11-14(9-10-18-15)20-17(2,3)4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyLNGRECVYWJUKLQ-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109353739
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219281
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109216961) is 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(NC(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is LNGRECVYWJUKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)19-16(21)15-11-14(9-10-18-15)20-17(2,3)4/h5-11H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide?
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109216961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).