N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide

C17H21N3O — CID 62239245

IUPACN-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H21N3O/c1-17(2,3)12-8-10-13(11-9-12)19-16(21)14-6-5-7-15(18-4)20-14/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyDIVOAWHNKBIRAY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.67
Rot. Bonds3

About N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide

N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62239245) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID62239245
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H21N3O/c1-17(2,3)12-8-10-13(11-9-12)19-16(21)14-6-5-7-15(18-4)20-14/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyDIVOAWHNKBIRAY-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 62239244
6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 62239792
N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238561
N-(4-bromo-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239926
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138
6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 62238570
N-(2-chlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62241147
6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099555
N-(5-bromo-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238936
N-(4-hydroxyphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 84570861
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79048918
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide (CID 62239245) is N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide is CNc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is DIVOAWHNKBIRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)12-8-10-13(11-9-12)19-16(21)14-6-5-7-15(18-4)20-14/h5-11H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62239245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).