(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C21H22N4O — CID 93013080

IUPAC(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc([C@@H]2CCc3nc(C(=O)NCc4ccncc4)cn3C2)c1
InChIInChI=1S/C21H22N4O/c1-15-3-2-4-17(11-15)18-5-6-20-24-19(14-25(20)13-18)21(26)23-12-16-7-9-22-10-8-16/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyDARVOWXRTSLRGV-GOSISDBHSA-N
MW346.43 g/mol
LogP3.25
Rot. Bonds4

About (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 93013080) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID93013080
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc([C@@H]2CCc3nc(C(=O)NCc4ccncc4)cn3C2)c1
InChIInChI=1S/C21H22N4O/c1-15-3-2-4-17(11-15)18-5-6-20-24-19(14-25(20)13-18)21(26)23-12-16-7-9-22-10-8-16/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyDARVOWXRTSLRGV-GOSISDBHSA-N
XLogP3.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylphenyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46080946
N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081028
(6R)-N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013212
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080951
N-[(4-fluorophenyl)methyl]-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081047
6-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878624
N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 71838130
(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013088
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
N-(1,2-diphenylethyl)-6-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081011

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 93013080) is (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc([C@@H]2CCc3nc(C(=O)NCc4ccncc4)cn3C2)c1.
What is the InChIKey of (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DARVOWXRTSLRGV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-3-2-4-17(11-15)18-5-6-20-24-19(14-25(20)13-18)21(26)23-12-16-7-9-22-10-8-16/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 93013080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).