2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid

C19H23NO3 — CID 120977628

IUPAC2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(C)cc(C2=CCN(C(=O)C3CCC3C(=O)O)CC2)c1
InChIInChI=1S/C19H23NO3/c1-12-9-13(2)11-15(10-12)14-5-7-20(8-6-14)18(21)16-3-4-17(16)19(22)23/h5,9-11,16-17H,3-4,6-8H2,1-2H3,(H,22,23)
InChIKeyHQLKLUSAIVFYRT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120977628) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120977628
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCc1cc(C)cc(C2=CCN(C(=O)C3CCC3C(=O)O)CC2)c1
InChIInChI=1S/C19H23NO3/c1-12-9-13(2)11-15(10-12)14-5-7-20(8-6-14)18(21)16-3-4-17(16)19(22)23/h5,9-11,16-17H,3-4,6-8H2,1-2H3,(H,22,23)
InChIKeyHQLKLUSAIVFYRT-UHFFFAOYSA-N
XLogP3.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-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

2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120699144
2-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977486
2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976930
2-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114408103
2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120690598
6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid
CID 120699138
(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
CID 143163887
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 60715502
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61163331
trans-(1S,2S)-5-(3,4-difluorophenoxy)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxamide
CID 87530048
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
(2S,3S,5S)-1-ethyl-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxylic acid
CID 67304756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120977628) is 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid is Cc1cc(C)cc(C2=CCN(C(=O)C3CCC3C(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is HQLKLUSAIVFYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-9-13(2)11-15(10-12)14-5-7-20(8-6-14)18(21)16-3-4-17(16)19(22)23/h5,9-11,16-17H,3-4,6-8H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).