3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide

C12H13N3O2 — CID 103762370

IUPAC3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCn1cccc1)c1ccncc1O
InChIInChI=1S/C12H13N3O2/c16-11-9-13-4-3-10(11)12(17)14-5-8-15-6-1-2-7-15/h1-4,6-7,9,16H,5,8H2,(H,14,17)
InChIKeySJKPPCZVBYAAGY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.02
Rot. Bonds4

About 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide

3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide (PubChem CID 103762370) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
PubChem CID103762370
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCn1cccc1)c1ccncc1O
InChIInChI=1S/C12H13N3O2/c16-11-9-13-4-3-10(11)12(17)14-5-8-15-6-1-2-7-15/h1-4,6-7,9,16H,5,8H2,(H,14,17)
InChIKeySJKPPCZVBYAAGY-UHFFFAOYSA-N
XLogP1.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103725448
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
CID 81443627
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide (CID 103762370) is 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide is O=C(NCCn1cccc1)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is SJKPPCZVBYAAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-9-13-4-3-10(11)12(17)14-5-8-15-6-1-2-7-15/h1-4,6-7,9,16H,5,8H2,(H,14,17).
What are the key properties of 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103762370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).