2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C20H18N4O2 — CID 142751956

IUPAC2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1c(Cc2ccc(N3C=CC(=O)CC3)cc2)nc2ccccn12
InChIInChI=1S/C20H18N4O2/c21-20(26)19-17(22-18-3-1-2-10-24(18)19)13-14-4-6-15(7-5-14)23-11-8-16(25)9-12-23/h1-8,10-11H,9,12-13H2,(H2,21,26)
InChIKeySVSPVBFQKDKQJK-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.32
Rot. Bonds4

About 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 142751956) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID142751956
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1c(Cc2ccc(N3C=CC(=O)CC3)cc2)nc2ccccn12
InChIInChI=1S/C20H18N4O2/c21-20(26)19-17(22-18-3-1-2-10-24(18)19)13-14-4-6-15(7-5-14)23-11-8-16(25)9-12-23/h1-8,10-11H,9,12-13H2,(H2,21,26)
InChIKeySVSPVBFQKDKQJK-UHFFFAOYSA-N
XLogP2.32
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 142751956) is 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1c(Cc2ccc(N3C=CC(=O)CC3)cc2)nc2ccccn12.
What is the InChIKey of 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SVSPVBFQKDKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-20(26)19-17(22-18-3-1-2-10-24(18)19)13-14-4-6-15(7-5-14)23-11-8-16(25)9-12-23/h1-8,10-11H,9,12-13H2,(H2,21,26).
What are the key properties of 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 142751956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).