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

C13H14N2O3 — CID 114412287

IUPAC6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1=CCN(C(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H14N2O3/c1-9-4-6-15(7-5-9)12(16)11-3-2-10(8-14-11)13(17)18/h2-4,8H,5-7H2,1H3,(H,17,18)
InChIKeySDWFQULLLLNUID-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.57
Rot. Bonds2

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

6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 114412287) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID114412287
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1=CCN(C(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H14N2O3/c1-9-4-6-15(7-5-9)12(16)11-3-2-10(8-14-11)13(17)18/h2-4,8H,5-7H2,1H3,(H,17,18)
InChIKeySDWFQULLLLNUID-UHFFFAOYSA-N
XLogP1.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 113352940
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 113352939
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
pyridine-2,5-dicarboxylic acid
CID 158970171
6-acetylpyridine-3-carboxylic acid
CID 22323784
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
1-[5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanone
CID 114410234
(4-fluoro-2-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115768398
(3-amino-4-methoxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407320
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid (CID 114412287) is 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid is CC1=CCN(C(=O)c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is SDWFQULLLLNUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-4-6-15(7-5-9)12(16)11-3-2-10(8-14-11)13(17)18/h2-4,8H,5-7H2,1H3,(H,17,18).
What are the key properties of 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid?
6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114412287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).