(6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C22H23N3O — CID 93013029

IUPAC(6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cn3c(n2)CC[C@@H](c2ccccc2C)C3)cc1
InChIInChI=1S/C22H23N3O/c1-15-7-10-18(11-8-15)23-22(26)20-14-25-13-17(9-12-21(25)24-20)19-6-4-3-5-16(19)2/h3-8,10-11,14,17H,9,12-13H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyAVRLIQLFQJHDQW-QGZVFWFLSA-N
MW345.45 g/mol
LogP4.48
Rot. Bonds3

About (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013029) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID93013029
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cn3c(n2)CC[C@@H](c2ccccc2C)C3)cc1
InChIInChI=1S/C22H23N3O/c1-15-7-10-18(11-8-15)23-22(26)20-14-25-13-17(9-12-21(25)24-20)19-6-4-3-5-16(19)2/h3-8,10-11,14,17H,9,12-13H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyAVRLIQLFQJHDQW-QGZVFWFLSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013029) is (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cn3c(n2)CC[C@@H](c2ccccc2C)C3)cc1.
What is the InChIKey of (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is AVRLIQLFQJHDQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-7-10-18(11-8-15)23-22(26)20-14-25-13-17(9-12-21(25)24-20)19-6-4-3-5-16(19)2/h3-8,10-11,14,17H,9,12-13H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-methylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).