2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid

C17H26N2O2 — CID 106003912

IUPAC2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C17H26N2O2/c1-2-6-15-11-14(17(20)21)12-16(19-15)18-10-5-9-13-7-3-4-8-13/h11-13H,2-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyDWURFJKDBOWYRT-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.11
Rot. Bonds8

About 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid

2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid (PubChem CID 106003912) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
PubChem CID106003912
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C17H26N2O2/c1-2-6-15-11-14(17(20)21)12-16(19-15)18-10-5-9-13-7-3-4-8-13/h11-13H,2-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyDWURFJKDBOWYRT-UHFFFAOYSA-N
XLogP4.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
CID 106012599
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266
2-[(3-ethyl-2-hydroxypentyl)amino]-6-propylpyridine-4-carboxylic acid
CID 106287098
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
CID 106305378

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid (CID 106003912) is 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(NCCCC2CCCC2)n1.
What is the InChIKey of 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is DWURFJKDBOWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-6-15-11-14(17(20)21)12-16(19-15)18-10-5-9-13-7-3-4-8-13/h11-13H,2-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid?
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 106003912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).