N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide

C13H11Br2N3O — CID 62174975

IUPACN-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H11Br2N3O/c1-16-9-4-5-17-12(7-9)13(19)18-11-6-8(14)2-3-10(11)15/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCLTCAQKTVBVXOE-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.90
Rot. Bonds3

About N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide

N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide (PubChem CID 62174975) has the molecular formula C13H11Br2N3O and a molecular weight of 385.06 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide
PubChem CID62174975
Molecular FormulaC13H11Br2N3O
Molecular Weight385.06 g/mol
Exact Mass382.93
IUPAC NameN-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H11Br2N3O/c1-16-9-4-5-17-12(7-9)13(19)18-11-6-8(14)2-3-10(11)15/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCLTCAQKTVBVXOE-UHFFFAOYSA-N
XLogP3.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 82759319
N-(2,5-dibromophenyl)-4-hydrazinylpyridine-2-carboxamide
CID 55050980
N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 107793513
N-(4-bromo-2,6-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62166688
N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 55046905
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114922872
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(4-bromo-2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173116

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide (CID 62174975) is N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is CLTCAQKTVBVXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O/c1-16-9-4-5-17-12(7-9)13(19)18-11-6-8(14)2-3-10(11)15/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide?
N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 385.06 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62174975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).