2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid

C15H20N2O2 — CID 114172366

IUPAC2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N2CCC=C(C)C2)n1
InChIInChI=1S/C15H20N2O2/c1-3-5-13-8-12(15(18)19)9-14(16-13)17-7-4-6-11(2)10-17/h6,8-9H,3-5,7,10H2,1-2H3,(H,18,19)
InChIKeyYTCKFXLJVVYEPR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.89
Rot. Bonds4

About 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid

2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid (PubChem CID 114172366) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid
PubChem CID114172366
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(N2CCC=C(C)C2)n1
InChIInChI=1S/C15H20N2O2/c1-3-5-13-8-12(15(18)19)9-14(16-13)17-7-4-6-11(2)10-17/h6,8-9H,3-5,7,10H2,1-2H3,(H,18,19)
InChIKeyYTCKFXLJVVYEPR-UHFFFAOYSA-N
XLogP2.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.89
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

2-tert-butyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carboxylic acid
CID 106314516
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid
CID 106314484
2-(4-hydroxypiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113380086
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
CID 106316607
2-(4-methylpyrazol-1-yl)-6-propylpyridine-4-carboxylic acid
CID 113379579
2-(3-methoxy-3-methylpiperidin-1-yl)-6-propylpyridine-4-carboxylic acid
CID 107392992
2-[2-(hydroxymethyl)azepan-1-yl]-6-propylpyridine-4-carboxylic acid
CID 116635077
N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 106316542
3-cyano-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 106315228
2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 114410077
2-ethyl-6-(3-ethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 113380150
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid (CID 114172366) is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(N2CCC=C(C)C2)n1.
What is the InChIKey of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid?
The InChIKey is YTCKFXLJVVYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-5-13-8-12(15(18)19)9-14(16-13)17-7-4-6-11(2)10-17/h6,8-9H,3-5,7,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid?
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 114172366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).