2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide

C18H21N3O — CID 86768243

IUPAC2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2CC2C(=O)NC2CCc3nccn3C2)c1
InChIInChI=1S/C18H21N3O/c1-12-3-2-4-13(9-12)15-10-16(15)18(22)20-14-5-6-17-19-7-8-21(17)11-14/h2-4,7-9,14-16H,5-6,10-11H2,1H3,(H,20,22)
InChIKeyQXUXCHXAGDDENA-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.43
Rot. Bonds3

About 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide

2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide (PubChem CID 86768243) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide
PubChem CID86768243
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2CC2C(=O)NC2CCc3nccn3C2)c1
InChIInChI=1S/C18H21N3O/c1-12-3-2-4-13(9-12)15-10-16(15)18(22)20-14-5-6-17-19-7-8-21(17)11-14/h2-4,7-9,14-16H,5-6,10-11H2,1H3,(H,20,22)
InChIKeyQXUXCHXAGDDENA-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95767503
(2S,3S)-2-methyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 129418427
(1R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 95761037
(1S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95134787
(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 100837272
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
3-methyl-N-[(3R)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl)piperidin-3-yl]benzamide
CID 155958351
(2S)-1-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95145770
(2R)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773661
(3S)-2-acetyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95766903
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
(2R)-1-methylsulfonyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95138552

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide (CID 86768243) is 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide is Cc1cccc(C2CC2C(=O)NC2CCc3nccn3C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide?
The InChIKey is QXUXCHXAGDDENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-3-2-4-13(9-12)15-10-16(15)18(22)20-14-5-6-17-19-7-8-21(17)11-14/h2-4,7-9,14-16H,5-6,10-11H2,1H3,(H,20,22).
What are the key properties of 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide?
2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86768243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).