3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C16H20N2O3 — CID 6467718

IUPAC3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1=C(C)CC(C(=O)Nc2ccc(C)cn2)C(C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c1-9-4-5-14(17-8-9)18-15(19)12-6-10(2)11(3)7-13(12)16(20)21/h4-5,8,12-13H,6-7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyFXHQIHBPOVUUHF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.78
Rot. Bonds3

About 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 6467718) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID6467718
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1=C(C)CC(C(=O)Nc2ccc(C)cn2)C(C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c1-9-4-5-14(17-8-9)18-15(19)12-6-10(2)11(3)7-13(12)16(20)21/h4-5,8,12-13H,6-7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyFXHQIHBPOVUUHF-UHFFFAOYSA-N
XLogP2.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
2-methyl-N-(5-methyl-2-pyridinyl)oxane-3-carboxamide
CID 128999567
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 42891852
N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42885438
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25348624
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185845
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148110
(2S,3R)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30008387
1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 80587423

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 6467718) is 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CC1=C(C)CC(C(=O)Nc2ccc(C)cn2)C(C(=O)O)C1.
What is the InChIKey of 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is FXHQIHBPOVUUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9-4-5-14(17-8-9)18-15(19)12-6-10(2)11(3)7-13(12)16(20)21/h4-5,8,12-13H,6-7H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 6467718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).