N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide

C13H10BrCl2N3O — CID 107793513

IUPACN-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1
InChIInChI=1S/C13H10BrCl2N3O/c1-17-7-4-5-18-10(6-7)13(20)19-9-3-2-8(14)11(15)12(9)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyWBRMRXAOOZFRAN-UHFFFAOYSA-N
MW375.05 g/mol
LogP4.44
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide

N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide (PubChem CID 107793513) has the molecular formula C13H10BrCl2N3O and a molecular weight of 375.05 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
PubChem CID107793513
Molecular FormulaC13H10BrCl2N3O
Molecular Weight375.05 g/mol
Exact Mass372.94
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1
InChIInChI=1S/C13H10BrCl2N3O/c1-17-7-4-5-18-10(6-7)13(20)19-9-3-2-8(14)11(15)12(9)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyWBRMRXAOOZFRAN-UHFFFAOYSA-N
XLogP4.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dibromophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62174975
N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 82759319
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-4-(methylamino)benzamide
CID 107793571
N-(4-bromo-2,6-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62166688
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429
N-(2,5-dibromophenyl)-4-hydrazinylpyridine-2-carboxamide
CID 55050980
N-(4-methoxyphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 55042638
N-(2,6-diethylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62186111
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
N-(2-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 82750648
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide (CID 107793513) is N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is WBRMRXAOOZFRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3O/c1-17-7-4-5-18-10(6-7)13(20)19-9-3-2-8(14)11(15)12(9)16/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide?
N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 375.05 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107793513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).