N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide

C15H20N2O — CID 164643241

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide
SMILESC[C@H](NC(=O)Cc1cccnc1)C1=CCCCC1
InChIInChI=1S/C15H20N2O/c1-12(14-7-3-2-4-8-14)17-15(18)10-13-6-5-9-16-11-13/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyRFYQIXYOBNDOGV-LBPRGKRZSA-N
MW244.34 g/mol
LogP2.63
Rot. Bonds4

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide (PubChem CID 164643241) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide
PubChem CID164643241
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide
SMILESC[C@H](NC(=O)Cc1cccnc1)C1=CCCCC1
InChIInChI=1S/C15H20N2O/c1-12(14-7-3-2-4-8-14)17-15(18)10-13-6-5-9-16-11-13/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyRFYQIXYOBNDOGV-LBPRGKRZSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 125446192
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
N-[1-(cyclohexen-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70725515
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine
CID 106652772
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 22492127

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide (CID 164643241) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide is C[C@H](NC(=O)Cc1cccnc1)C1=CCCCC1.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is RFYQIXYOBNDOGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(14-7-3-2-4-8-14)17-15(18)10-13-6-5-9-16-11-13/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 164643241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).