2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide

C21H23N3O — CID 91124806

IUPAC2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12
InChIInChI=1S/C21H23N3O/c1-5-12-22-21(25)16(4)20-19(17-9-6-14(2)7-10-17)23-18-11-8-15(3)13-24(18)20/h5-11,13,16H,1,12H2,2-4H3,(H,22,25)
InChIKeyUQQCOEFDENGCOE-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.02
Rot. Bonds5

About 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide

2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide (PubChem CID 91124806) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide
PubChem CID91124806
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12
InChIInChI=1S/C21H23N3O/c1-5-12-22-21(25)16(4)20-19(17-9-6-14(2)7-10-17)23-18-11-8-15(3)13-24(18)20/h5-11,13,16H,1,12H2,2-4H3,(H,22,25)
InChIKeyUQQCOEFDENGCOE-UHFFFAOYSA-N
XLogP4.02
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide (CID 91124806) is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12.
What is the InChIKey of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide?
The InChIKey is UQQCOEFDENGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-5-12-22-21(25)16(4)20-19(17-9-6-14(2)7-10-17)23-18-11-8-15(3)13-24(18)20/h5-11,13,16H,1,12H2,2-4H3,(H,22,25).
What are the key properties of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide?
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide has a molecular weight of 333.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 91124806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).