2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide

C11H13ClN4O — CID 79292930

IUPAC2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C11H13ClN4O/c1-7(12)11-15-8-5-14-4-3-9(8)16(11)6-10(17)13-2/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyPJNZFDVIFQTNRN-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.48
Rot. Bonds3

About 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide

2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide (PubChem CID 79292930) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
PubChem CID79292930
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C11H13ClN4O/c1-7(12)11-15-8-5-14-4-3-9(8)16(11)6-10(17)13-2/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyPJNZFDVIFQTNRN-UHFFFAOYSA-N
XLogP1.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
CID 79292094
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,2,2-trimethylpropanamide
CID 106278840
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43667469
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 79274286
2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide
CID 103964639
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
CID 79292538
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 79292805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide (CID 79292930) is 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide is CNC(=O)Cn1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide?
The InChIKey is PJNZFDVIFQTNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7(12)11-15-8-5-14-4-3-9(8)16(11)6-10(17)13-2/h3-5,7H,6H2,1-2H3,(H,13,17).
What are the key properties of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide?
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide has a molecular weight of 252.71 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide is sourced from PubChem (CID 79292930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).