6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

C15H12BrN5O — CID 126018157

IUPAC6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1cccnc1
InChIInChI=1S/C15H12BrN5O/c1-10-14(21-9-12(16)4-5-13(21)19-10)15(22)20-18-8-11-3-2-6-17-7-11/h2-9H,1H3,(H,20,22)/b18-8-
InChIKeyGWLMHKGMTRMTAN-LSCVHKIXSA-N
MW358.20 g/mol
LogP2.56
Rot. Bonds3

About 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide

6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126018157) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126018157
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1cccnc1
InChIInChI=1S/C15H12BrN5O/c1-10-14(21-9-12(16)4-5-13(21)19-10)15(22)20-18-8-11-3-2-6-17-7-11/h2-9H,1H3,(H,20,22)/b18-8-
InChIKeyGWLMHKGMTRMTAN-LSCVHKIXSA-N
XLogP2.56
TPSA71.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 5497455
6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 171988440
4-bromo-1,3-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-5-carboxamide
CID 6873360
4-chloro-1,3-dimethyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazole-5-carboxamide
CID 5410829
6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 124539662
N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 5416113
4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 75137265
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
5,7-dimethyl-N-(pyridin-3-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 725033
4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3478263
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide (CID 126018157) is 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1cccnc1.
What is the InChIKey of 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GWLMHKGMTRMTAN-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-10-14(21-9-12(16)4-5-13(21)19-10)15(22)20-18-8-11-3-2-6-17-7-11/h2-9H,1H3,(H,20,22)/b18-8-.
What are the key properties of 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126018157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).