N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide

C13H16N2O — CID 42891852

IUPACN-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2)nc1
InChIInChI=1S/C13H16N2O/c1-10-7-8-12(14-9-10)15-13(16)11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,14,15,16)
InChIKeyUEJYPMVCWLBBCH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.68
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide

N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide (PubChem CID 42891852) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
PubChem CID42891852
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2)nc1
InChIInChI=1S/C13H16N2O/c1-10-7-8-12(14-9-10)15-13(16)11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,14,15,16)
InChIKeyUEJYPMVCWLBBCH-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.68
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-(5-cyano-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 56826266
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide (CID 42891852) is N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide is Cc1ccc(NC(=O)C2CC=CCC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is UEJYPMVCWLBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-7-8-12(14-9-10)15-13(16)11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide?
N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42891852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).