N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

C13H11BrClN3O — CID 114921871

IUPACN-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccccc2Br)c(Cl)cn1
InChIInChI=1S/C13H11BrClN3O/c1-16-12-6-8(10(15)7-17-12)13(19)18-11-5-3-2-4-9(11)14/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyGFTOZONYDOTUAE-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.79
Rot. Bonds3

About N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114921871) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
PubChem CID114921871
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC NameN-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccccc2Br)c(Cl)cn1
InChIInChI=1S/C13H11BrClN3O/c1-16-12-6-8(10(15)7-17-12)13(19)18-11-5-3-2-4-9(11)14/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyGFTOZONYDOTUAE-UHFFFAOYSA-N
XLogP3.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114922872
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922037
N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117
5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
N-(3-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924481
5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107801317
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
5-chloro-N-(3-chloro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 103094800
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924765
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114923550

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (CID 114921871) is N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccccc2Br)c(Cl)cn1.
What is the InChIKey of N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is GFTOZONYDOTUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-16-12-6-8(10(15)7-17-12)13(19)18-11-5-3-2-4-9(11)14/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114921871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).