N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide

C15H12N4O2 — CID 110464333

IUPACN-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C15H12N4O2/c20-13-2-1-7-16-14(13)19-15(21)11-5-3-10(4-6-11)12-8-17-18-9-12/h1-9,20H,(H,17,18)(H,16,19,21)
InChIKeyOUAVUVIKCMTCBP-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.43
Rot. Bonds3

About N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide

N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 110464333) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID110464333
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C15H12N4O2/c20-13-2-1-7-16-14(13)19-15(21)11-5-3-10(4-6-11)12-8-17-18-9-12/h1-9,20H,(H,17,18)(H,16,19,21)
InChIKeyOUAVUVIKCMTCBP-UHFFFAOYSA-N
XLogP2.43
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide (CID 110464333) is N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide is O=C(Nc1ncccc1O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is OUAVUVIKCMTCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-13-2-1-7-16-14(13)19-15(21)11-5-3-10(4-6-11)12-8-17-18-9-12/h1-9,20H,(H,17,18)(H,16,19,21).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide?
N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 280.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110464333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).