N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide

C14H14BrN3O — CID 82759319

IUPACN-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-9-3-4-11(15)12(7-9)18-14(19)13-8-10(16-2)5-6-17-13/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFJEAVRASBOENCE-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.45
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide

N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide (PubChem CID 82759319) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide
PubChem CID82759319
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C14H14BrN3O/c1-9-3-4-11(15)12(7-9)18-14(19)13-8-10(16-2)5-6-17-13/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFJEAVRASBOENCE-UHFFFAOYSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62174975
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 107793513
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
N-(2,5-dibromophenyl)-4-hydrazinylpyridine-2-carboxamide
CID 55050980
N-(4-bromo-2,6-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62166688
N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62242371
N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202431
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide (CID 82759319) is N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)Nc2cc(C)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is FJEAVRASBOENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-3-4-11(15)12(7-9)18-14(19)13-8-10(16-2)5-6-17-13/h3-8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide?
N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 82759319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).