6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide

C10H7ClN4O — CID 42536764

IUPAC6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESN#CCNC(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H7ClN4O/c11-7-1-2-9-14-8(6-15(9)5-7)10(16)13-4-3-12/h1-2,5-6H,4H2,(H,13,16)
InChIKeyVQGPYLUUAKPVAV-UHFFFAOYSA-N
MW234.65 g/mol
LogP1.24
Rot. Bonds2

About 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42536764) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42536764
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESN#CCNC(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H7ClN4O/c11-7-1-2-9-14-8(6-15(9)5-7)10(16)13-4-3-12/h1-2,5-6H,4H2,(H,13,16)
InChIKeyVQGPYLUUAKPVAV-UHFFFAOYSA-N
XLogP1.24
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53014872
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
CID 170887196
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
6-chloro-N-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051345
methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
CID 42536775
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95388376
6-(4-chlorophenyl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690096
6-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627195
6-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46974526
6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 171137660
N-(2-acetamidoethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 77092893

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 42536764) is 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide is N#CCNC(=O)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VQGPYLUUAKPVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-7-1-2-9-14-8(6-15(9)5-7)10(16)13-4-3-12/h1-2,5-6H,4H2,(H,13,16).
What are the key properties of 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 234.65 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42536764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).