2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid

C13H18N2O3 — CID 102863145

IUPAC2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N(CCCO)C1CCC1
InChIInChI=1S/C13H18N2O3/c16-9-3-8-15(10-4-1-5-10)12-11(13(17)18)6-2-7-14-12/h2,6-7,10,16H,1,3-5,8-9H2,(H,17,18)
InChIKeyXQJHKGLXUFUROW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds6

About 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid

2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid (PubChem CID 102863145) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
PubChem CID102863145
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N(CCCO)C1CCC1
InChIInChI=1S/C13H18N2O3/c16-9-3-8-15(10-4-1-5-10)12-11(13(17)18)6-2-7-14-12/h2,6-7,10,16H,1,3-5,8-9H2,(H,17,18)
InChIKeyXQJHKGLXUFUROW-UHFFFAOYSA-N
XLogP1.52
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
2-[cyclobutyl(3-hydroxypropyl)amino]-3-nitrobenzoic acid
CID 102863152
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
CID 114055510
5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
CID 21451098
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
2-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]benzoic acid
CID 102860796
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid (CID 102863145) is 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N(CCCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is XQJHKGLXUFUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-9-3-8-15(10-4-1-5-10)12-11(13(17)18)6-2-7-14-12/h2,6-7,10,16H,1,3-5,8-9H2,(H,17,18).
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid?
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 102863145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).