5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C12H11N3O2 — CID 63864257

IUPAC5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(O)c1
InChIInChI=1S/C12H11N3O2/c16-11-5-10(7-14-8-11)12(17)15-6-9-1-3-13-4-2-9/h1-5,7-8,16H,6H2,(H,15,17)
InChIKeyDGEQIQUJJWXXQB-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.11
Rot. Bonds3

About 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 63864257) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID63864257
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(O)c1
InChIInChI=1S/C12H11N3O2/c16-11-5-10(7-14-8-11)12(17)15-6-9-1-3-13-4-2-9/h1-5,7-8,16H,6H2,(H,15,17)
InChIKeyDGEQIQUJJWXXQB-UHFFFAOYSA-N
XLogP1.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
CID 81090318
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235617
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63859223
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 63864257) is 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DGEQIQUJJWXXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-5-10(7-14-8-11)12(17)15-6-9-1-3-13-4-2-9/h1-5,7-8,16H,6H2,(H,15,17).
What are the key properties of 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63864257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).