N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide

C12H9BrClN3O — CID 75388632

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2ccncc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-9(13)11(16-5-7)17-12(18)8-2-3-15-6-10(8)14/h2-6H,1H3,(H,16,17,18)
InChIKeyPUMBEEVLSMIQDP-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide

N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide (PubChem CID 75388632) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
PubChem CID75388632
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2ccncc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClN3O/c1-7-4-9(13)11(16-5-7)17-12(18)8-2-3-15-6-10(8)14/h2-6H,1H3,(H,16,17,18)
InChIKeyPUMBEEVLSMIQDP-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 83166694
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526
N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 75496322
N-(3-bromo-5-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 11437936
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
CID 66464767
N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide
CID 167864596
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide (CID 75388632) is N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide is Cc1cnc(NC(=O)c2ccncc2Cl)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide?
The InChIKey is PUMBEEVLSMIQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-4-9(13)11(16-5-7)17-12(18)8-2-3-15-6-10(8)14/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide?
N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 75388632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).