5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide

C12H17N3O2 — CID 55257173

IUPAC5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC1CCNC1)c1cncc(O)c1
InChIInChI=1S/C12H17N3O2/c16-11-5-10(7-14-8-11)12(17)15-4-2-9-1-3-13-6-9/h5,7-9,13,16H,1-4,6H2,(H,15,17)
InChIKeyZGPQPOKCCFFAHD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.52
Rot. Bonds4

About 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide

5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide (PubChem CID 55257173) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
PubChem CID55257173
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCC1CCNC1)c1cncc(O)c1
InChIInChI=1S/C12H17N3O2/c16-11-5-10(7-14-8-11)12(17)15-4-2-9-1-3-13-6-9/h5,7-9,13,16H,1-4,6H2,(H,15,17)
InChIKeyZGPQPOKCCFFAHD-UHFFFAOYSA-N
XLogP0.52
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-5-hydroxypyridine-3-carboxamide
CID 63866200
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119537449
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564437
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide (CID 55257173) is 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide is O=C(NCCC1CCNC1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZGPQPOKCCFFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-5-10(7-14-8-11)12(17)15-4-2-9-1-3-13-6-9/h5,7-9,13,16H,1-4,6H2,(H,15,17).
What are the key properties of 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide?
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55257173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).