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

C12H15ClN4O — CID 79292094

IUPAC2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C12H15ClN4O/c1-3-15-11(18)7-17-10-4-5-14-6-9(10)16-12(17)8(2)13/h4-6,8H,3,7H2,1-2H3,(H,15,18)
InChIKeyHYYDOIQMGQDMBJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.87
Rot. Bonds4

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

2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide (PubChem CID 79292094) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
PubChem CID79292094
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C12H15ClN4O/c1-3-15-11(18)7-17-10-4-5-14-6-9(10)16-12(17)8(2)13/h4-6,8H,3,7H2,1-2H3,(H,15,18)
InChIKeyHYYDOIQMGQDMBJ-UHFFFAOYSA-N
XLogP1.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.87
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-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10691006
1-Ethylimidazo[1,5-a]pyrido[4,5-e]pyrazine-4(5H)-one
CID 19809391
N-(4-chlorophenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]acetamide
CID 44024165
2-[(5-chloro-2-oxo-1H-pyridin-3-yl)amino]-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 71061878
(E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide
CID 90183490
4-N-butyl-5-(3-methylbut-2-enyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887482
2-[2-amino-4-(butylamino)pyrrolo[3,2-d]pyrimidin-5-yl]-N-methylacetamide
CID 118334999
2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide
CID 169449346
N-[2-(diethylamino)ethyl]-2-[2-(2-pyridinyl)-1H-benzimidazol-1-yl]acetamide
CID 2959501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide (CID 79292094) is 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide?
The InChIKey is HYYDOIQMGQDMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-15-11(18)7-17-10-4-5-14-6-9(10)16-12(17)8(2)13/h4-6,8H,3,7H2,1-2H3,(H,15,18).
What are the key properties of 2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide?
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide has a molecular weight of 266.73 g/mol, XLogP of 1.87, 4 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-ethylacetamide is sourced from PubChem (CID 79292094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).