5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide

C20H27N3O — CID 109195203

IUPAC5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O/c1-19(2,3)14-7-9-15(10-8-14)22-18(24)17-12-11-16(13-21-17)23-20(4,5)6/h7-13,23H,1-6H3,(H,22,24)
InChIKeyLQSYOAOWTINMDW-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.84
Rot. Bonds3

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

5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide (PubChem CID 109195203) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
PubChem CID109195203
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O/c1-19(2,3)14-7-9-15(10-8-14)22-18(24)17-12-11-16(13-21-17)23-20(4,5)6/h7-13,23H,1-6H3,(H,22,24)
InChIKeyLQSYOAOWTINMDW-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182449
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109195188
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
CID 109195255
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide (CID 109195203) is 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide is CC(C)(C)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The InChIKey is LQSYOAOWTINMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-19(2,3)14-7-9-15(10-8-14)22-18(24)17-12-11-16(13-21-17)23-20(4,5)6/h7-13,23H,1-6H3,(H,22,24).
What are the key properties of 5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.84, 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-tert-butylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).