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

C15H20N2O2 — CID 106314484

IUPAC2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC1=CCCN(c2cc(C(=O)O)cc(C(C)C)n2)C1
InChIInChI=1S/C15H20N2O2/c1-10(2)13-7-12(15(18)19)8-14(16-13)17-6-4-5-11(3)9-17/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,19)
InChIKeyIVXLBYMJMNFXGS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.06
Rot. Bonds3

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

2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 106314484) 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-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID106314484
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC1=CCCN(c2cc(C(=O)O)cc(C(C)C)n2)C1
InChIInChI=1S/C15H20N2O2/c1-10(2)13-7-12(15(18)19)8-14(16-13)17-6-4-5-11(3)9-17/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,19)
InChIKeyIVXLBYMJMNFXGS-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid (CID 106314484) is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid is CC1=CCCN(c2cc(C(=O)O)cc(C(C)C)n2)C1.
What is the InChIKey of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is IVXLBYMJMNFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)13-7-12(15(18)19)8-14(16-13)17-6-4-5-11(3)9-17/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid?
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.06, 3 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-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 106314484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).