3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide

C14H19ClN4O2 — CID 115625613

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H19ClN4O2/c1-21-7-6-17-14(20)4-5-16-8-12-10-19-9-11(15)2-3-13(19)18-12/h2-3,9-10,16H,4-8H2,1H3,(H,17,20)
InChIKeyPEVSSMIDDLQOSN-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.23
Rot. Bonds8

About 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 115625613) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID115625613
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H19ClN4O2/c1-21-7-6-17-14(20)4-5-16-8-12-10-19-9-11(15)2-3-13(19)18-12/h2-3,9-10,16H,4-8H2,1H3,(H,17,20)
InChIKeyPEVSSMIDDLQOSN-UHFFFAOYSA-N
XLogP1.23
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
CID 78998419
N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115625685
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
CID 83112157
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine
CID 115632465
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110671985
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-propoxypropan-1-amine
CID 82943395
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3-methylphenyl)propanamide
CID 110672012
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
CID 115632290
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 103399373

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide (CID 115625613) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is PEVSSMIDDLQOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-21-7-6-17-14(20)4-5-16-8-12-10-19-9-11(15)2-3-13(19)18-12/h2-3,9-10,16H,4-8H2,1H3,(H,17,20).
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 310.79 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115625613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).