1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C14H17NO2 — CID 105489669

IUPAC1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCc1cccc(C2=C(C(=O)O)CCN(C)C2)c1
InChIInChI=1S/C14H17NO2/c1-10-4-3-5-11(8-10)13-9-15(2)7-6-12(13)14(16)17/h3-5,8H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyBNGXXMGCYFDCGA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 105489669) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID105489669
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCc1cccc(C2=C(C(=O)O)CCN(C)C2)c1
InChIInChI=1S/C14H17NO2/c1-10-4-3-5-11(8-10)13-9-15(2)7-6-12(13)14(16)17/h3-5,8H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyBNGXXMGCYFDCGA-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
CID 105471112
5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105496008
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23323988
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
1-methyl-3-(2-methylcyclopenten-1-yl)benzene
CID 10866804
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
CID 66990742
2-(3-methylphenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carboxylic acid
CID 91350154
6-methyl-4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82220468

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 105489669) is 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is Cc1cccc(C2=C(C(=O)O)CCN(C)C2)c1.
What is the InChIKey of 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is BNGXXMGCYFDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-4-3-5-11(8-10)13-9-15(2)7-6-12(13)14(16)17/h3-5,8H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 105489669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).