N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide

C19H20ClN3O — CID 3058746

IUPACN-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyLIFDPEORUVTOCP-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.41
Rot. Bonds5

About N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide

N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide (PubChem CID 3058746) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide
PubChem CID3058746
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyLIFDPEORUVTOCP-UHFFFAOYSA-N
XLogP4.41
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide?
The IUPAC name of N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide (CID 3058746) is N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide.
What is the SMILES notation for N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide?
The canonical SMILES for N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide is CCCC(=O)N(C)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide?
The InChIKey is LIFDPEORUVTOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3.
What are the key properties of N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide?
N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide has a molecular weight of 341.84 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide is sourced from PubChem (CID 3058746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).