(1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide

C16H23N3O — CID 92863343

IUPAC(1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCc1cn2c(n1)CCCC2)[C@@H]1CC=CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-6-2-1-3-7-13)17-10-9-14-12-19-11-5-4-8-15(19)18-14/h1-2,12-13H,3-11H2,(H,17,20)/t13-/m1/s1
InChIKeyPZYJKORQIGTFBH-CYBMUJFWSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds4

About (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 92863343) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID92863343
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCc1cn2c(n1)CCCC2)[C@@H]1CC=CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-6-2-1-3-7-13)17-10-9-14-12-19-11-5-4-8-15(19)18-14/h1-2,12-13H,3-11H2,(H,17,20)/t13-/m1/s1
InChIKeyPZYJKORQIGTFBH-CYBMUJFWSA-N
XLogP2.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
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

trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 95276765
(7R)-3-cyclohexyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339514
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]benzamide
CID 42950879
2-(3-methylcyclohexyl)oxy-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]propanamide
CID 56791501
1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 42892000
1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(1,3-thiazol-2-ylmethyl)urea
CID 166185795
(1S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 30101763
(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 129354971
5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120970072
3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143503
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylhydrazine
CID 146157907
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 92863343) is (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCc1cn2c(n1)CCCC2)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is PZYJKORQIGTFBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(13-6-2-1-3-7-13)17-10-9-14-12-19-11-5-4-8-15(19)18-14/h1-2,12-13H,3-11H2,(H,17,20)/t13-/m1/s1.
What are the key properties of (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 92863343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).