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

C13H18N2O3 — CID 105062667

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N(CCO)C1CCCC1
InChIInChI=1S/C13H18N2O3/c16-8-7-15(10-3-1-2-4-10)12-9-14-6-5-11(12)13(17)18/h5-6,9-10,16H,1-4,7-8H2,(H,17,18)
InChIKeyMIQPDFVPBINSID-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds5

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

3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid (PubChem CID 105062667) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
PubChem CID105062667
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N(CCO)C1CCCC1
InChIInChI=1S/C13H18N2O3/c16-8-7-15(10-3-1-2-4-10)12-9-14-6-5-11(12)13(17)18/h5-6,9-10,16H,1-4,7-8H2,(H,17,18)
InChIKeyMIQPDFVPBINSID-UHFFFAOYSA-N
XLogP1.52
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244159
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324
3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062611
4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214262
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 55132262
2-[cyclopropyl(2-hydroxyethyl)amino]-5-nitrobenzoic acid
CID 54994781
4-[cyclobutyl(2-hydroxyethyl)amino]-3-methylbenzoic acid
CID 102863218
3-[3-hydroxypropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105062664

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid (CID 105062667) is 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1N(CCO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is MIQPDFVPBINSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-7-15(10-3-1-2-4-10)12-9-14-6-5-11(12)13(17)18/h5-6,9-10,16H,1-4,7-8H2,(H,17,18).
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).