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

C17H20BrN3O — CID 109217034

IUPACN-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C17H20BrN3O/c1-11-9-12(18)5-6-14(11)20-16(22)15-10-13(7-8-19-15)21-17(2,3)4/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyLHBNKIGHMYDQHC-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.62
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide (PubChem CID 109217034) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
PubChem CID109217034
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C17H20BrN3O/c1-11-9-12(18)5-6-14(11)20-16(22)15-10-13(7-8-19-15)21-17(2,3)4/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyLHBNKIGHMYDQHC-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
N-(4-bromo-2-methylphenyl)-2-(tert-butylamino)pyridine-4-carboxamide
CID 109175040
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62185216
N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173116
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62174975
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide (CID 109217034) is N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc(NC(C)(C)C)ccn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide?
The InChIKey is LHBNKIGHMYDQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-9-12(18)5-6-14(11)20-16(22)15-10-13(7-8-19-15)21-17(2,3)4/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide?
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109217034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).