(1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide

C21H21N3O — CID 39951575

IUPAC(1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccn2c(NC(=O)[C@@H]3CC=CCC3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C21H21N3O/c1-15-12-13-24-18(14-15)22-19(16-8-4-2-5-9-16)20(24)23-21(25)17-10-6-3-7-11-17/h2-6,8-9,12-14,17H,7,10-11H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyVHBVSDGJZDRGQJ-QGZVFWFLSA-N
MW331.42 g/mol
LogP4.60
Rot. Bonds3

About (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide

(1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 39951575) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID39951575
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccn2c(NC(=O)[C@@H]3CC=CCC3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C21H21N3O/c1-15-12-13-24-18(14-15)22-19(16-8-4-2-5-9-16)20(24)23-21(25)17-10-6-3-7-11-17/h2-6,8-9,12-14,17H,7,10-11H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyVHBVSDGJZDRGQJ-QGZVFWFLSA-N
XLogP4.60
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclopropanecarboxamide
CID 42694105
N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693972
N-[2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694390
N-[2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42693878
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxamide
CID 17417375
N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42693785
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenoxyacetamide
CID 3351755
cis-(1S,2R)-N-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 93017110
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
1-(4-chlorophenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694832
1-(3,4-dimethylphenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694834

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide (CID 39951575) is (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide is Cc1ccn2c(NC(=O)[C@@H]3CC=CCC3)c(-c3ccccc3)nc2c1.
What is the InChIKey of (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is VHBVSDGJZDRGQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-12-13-24-18(14-15)22-19(16-8-4-2-5-9-16)20(24)23-21(25)17-10-6-3-7-11-17/h2-6,8-9,12-14,17H,7,10-11H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 39951575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).