N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide

C10H9BrN4O — CID 103874377

IUPACN-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C10H9BrN4O/c1-15-5-9(13-6-15)10(16)14-8-2-3-12-4-7(8)11/h2-6H,1H3,(H,12,14,16)
InChIKeyIQTRODGLLAGSEB-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.83
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide

N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide (PubChem CID 103874377) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide
PubChem CID103874377
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC NameN-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C10H9BrN4O/c1-15-5-9(13-6-15)10(16)14-8-2-3-12-4-7(8)11/h2-6H,1H3,(H,12,14,16)
InChIKeyIQTRODGLLAGSEB-UHFFFAOYSA-N
XLogP1.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 103860189
N-(3-bromo-4-pyridinyl)-6-chloropyrazine-2-carboxamide
CID 106551588
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
N-[2-(1-bromoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975155
N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641936
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
N-[2-(1-chloroethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975038
N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 114022425
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088
N-(3-bromo-4-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685097
4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
CID 112548050

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide (CID 103874377) is N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccncc2Br)c1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide?
The InChIKey is IQTRODGLLAGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-15-5-9(13-6-15)10(16)14-8-2-3-12-4-7(8)11/h2-6H,1H3,(H,12,14,16).
What are the key properties of N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide?
N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103874377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).