4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid

C14H20N2O3 — CID 81244159

IUPAC4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(CCO)C2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-8-13(12(9-15-10)14(18)19)16(6-7-17)11-4-2-3-5-11/h8-9,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyMRLBAPXSDFQFEM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds5

About 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid

4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244159) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID81244159
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(CCO)C2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-8-13(12(9-15-10)14(18)19)16(6-7-17)11-4-2-3-5-11/h8-9,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyMRLBAPXSDFQFEM-UHFFFAOYSA-N
XLogP1.83
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244045
4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244340
4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214262
3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062667
6-methyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81233162
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81233414
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid (CID 81244159) is 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid is Cc1cc(N(CCO)C2CCCC2)c(C(=O)O)cn1.
What is the InChIKey of 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is MRLBAPXSDFQFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-8-13(12(9-15-10)14(18)19)16(6-7-17)11-4-2-3-5-11/h8-9,11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).