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

C12H15ClN4O — CID 78998419

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H15ClN4O/c1-14-12(18)4-5-15-6-10-8-17-7-9(13)2-3-11(17)16-10/h2-3,7-8,15H,4-6H2,1H3,(H,14,18)
InChIKeyIEERKYVEDYUCQZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.21
Rot. Bonds5

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

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide (PubChem CID 78998419) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
PubChem CID78998419
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H15ClN4O/c1-14-12(18)4-5-15-6-10-8-17-7-9(13)2-3-11(17)16-10/h2-3,7-8,15H,4-6H2,1H3,(H,14,18)
InChIKeyIEERKYVEDYUCQZ-UHFFFAOYSA-N
XLogP1.21
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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]-N-(2-methoxyethyl)propanamide
CID 115625613
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentanamide
CID 106237592
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
CID 83112157
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine
CID 115632465
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentan-1-ol
CID 107303015
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
CID 115632290
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]but-2-yn-1-amine
CID 115866233
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopropylpropan-1-amine
CID 115639536
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide (CID 78998419) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide is CNC(=O)CCNCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide?
The InChIKey is IEERKYVEDYUCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-14-12(18)4-5-15-6-10-8-17-7-9(13)2-3-11(17)16-10/h2-3,7-8,15H,4-6H2,1H3,(H,14,18).
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide has a molecular weight of 266.73 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 78998419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).