2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid

C14H20N2O2 — CID 61004045

IUPAC2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-9-7-10(2)16-13(12(9)14(17)18)15-8-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFVDDTMOLKCNATD-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.00
Rot. Bonds4

About 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid

2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61004045) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61004045
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCC2CCCC2)n1
InChIInChI=1S/C14H20N2O2/c1-9-7-10(2)16-13(12(9)14(17)18)15-8-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFVDDTMOLKCNATD-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 61004045) is 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is FVDDTMOLKCNATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-7-10(2)16-13(12(9)14(17)18)15-8-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61004045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).