5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C11H12N4O2 — CID 63861037

IUPAC5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cc(CNC(=O)c2cncc(O)c2)cn1
InChIInChI=1S/C11H12N4O2/c1-15-7-8(4-14-15)3-13-11(17)9-2-10(16)6-12-5-9/h2,4-7,16H,3H2,1H3,(H,13,17)
InChIKeyOLAKLIIHPYVMRN-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.45
Rot. Bonds3

About 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 63861037) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID63861037
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cc(CNC(=O)c2cncc(O)c2)cn1
InChIInChI=1S/C11H12N4O2/c1-15-7-8(4-14-15)3-13-11(17)9-2-10(16)6-12-5-9/h2,4-7,16H,3H2,1H3,(H,13,17)
InChIKeyOLAKLIIHPYVMRN-UHFFFAOYSA-N
XLogP0.45
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
CID 81090318
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63859223
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 63861037) is 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cn1cc(CNC(=O)c2cncc(O)c2)cn1.
What is the InChIKey of 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OLAKLIIHPYVMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-7-8(4-14-15)3-13-11(17)9-2-10(16)6-12-5-9/h2,4-7,16H,3H2,1H3,(H,13,17).
What are the key properties of 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63861037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).