3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid

C15H18N2O3 — CID 106315818

IUPAC3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
SMILESCC1=CCCN(C(=O)Nc2c(C)cccc2C(=O)O)C1
InChIInChI=1S/C15H18N2O3/c1-10-5-4-8-17(9-10)15(20)16-13-11(2)6-3-7-12(13)14(18)19/h3,5-7H,4,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIUECZISVCJDRFP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.88
Rot. Bonds2

About 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid

3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid (PubChem CID 106315818) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
PubChem CID106315818
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
SMILESCC1=CCCN(C(=O)Nc2c(C)cccc2C(=O)O)C1
InChIInChI=1S/C15H18N2O3/c1-10-5-4-8-17(9-10)15(20)16-13-11(2)6-3-7-12(13)14(18)19/h3,5-7H,4,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIUECZISVCJDRFP-UHFFFAOYSA-N
XLogP2.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
2-[(4-ethylpiperazine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61190598
2-fluoro-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
CID 106315819
2-[(3-ethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61203294
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62331471
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 106314434
3-methyl-2-(piperidin-1-ylamino)benzoic acid
CID 107112359
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid (CID 106315818) is 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid is CC1=CCCN(C(=O)Nc2c(C)cccc2C(=O)O)C1.
What is the InChIKey of 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
The InChIKey is IUECZISVCJDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-5-4-8-17(9-10)15(20)16-13-11(2)6-3-7-12(13)14(18)19/h3,5-7H,4,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid?
3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 106315818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).