2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

C16H15N5O2 — CID 25106892

IUPAC2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1O
InChIInChI=1S/C16H15N5O2/c1-10-3-2-4-12(14(10)22)16(23)18-9-13-19-15(21-20-13)11-5-7-17-8-6-11/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyRKUKZCPODPNVQM-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.81
Rot. Bonds4

About 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 25106892) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID25106892
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1O
InChIInChI=1S/C16H15N5O2/c1-10-3-2-4-12(14(10)22)16(23)18-9-13-19-15(21-20-13)11-5-7-17-8-6-11/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyRKUKZCPODPNVQM-UHFFFAOYSA-N
XLogP1.81
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 25106892) is 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is Cc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is RKUKZCPODPNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-3-2-4-12(14(10)22)16(23)18-9-13-19-15(21-20-13)11-5-7-17-8-6-11/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 25106892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).