2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide

C11H13ClN4O — CID 79294510

IUPAC2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
SMILESCC(Cl)c1nc2cccnc2n1C(C)C(N)=O
InChIInChI=1S/C11H13ClN4O/c1-6(12)10-15-8-4-3-5-14-11(8)16(10)7(2)9(13)17/h3-7H,1-2H3,(H2,13,17)
InChIKeyURJNNECTYLQCRP-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.78
Rot. Bonds3

About 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide

2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide (PubChem CID 79294510) 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-b]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
PubChem CID79294510
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
SMILESCC(Cl)c1nc2cccnc2n1C(C)C(N)=O
InChIInChI=1S/C11H13ClN4O/c1-6(12)10-15-8-4-3-5-14-11(8)16(10)7(2)9(13)17/h3-7H,1-2H3,(H2,13,17)
InChIKeyURJNNECTYLQCRP-UHFFFAOYSA-N
XLogP1.78
TPSA73.80 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 ≤ 51.78
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-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
CID 79294169
2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294590
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]propanamide
CID 43667651
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
CID 79273878
3-[2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83114805
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide (CID 79294510) is 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The canonical SMILES for 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide is CC(Cl)c1nc2cccnc2n1C(C)C(N)=O.
What is the InChIKey of 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
The InChIKey is URJNNECTYLQCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6(12)10-15-8-4-3-5-14-11(8)16(10)7(2)9(13)17/h3-7H,1-2H3,(H2,13,17).
What are the key properties of 2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide?
2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide has a molecular weight of 252.71 g/mol, XLogP of 1.78, 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-b]pyridin-3-yl]propanamide is sourced from PubChem (CID 79294510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).