2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

C16H15N5O3 — CID 25106893

IUPAC2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCOc1cccc(O)c1C(=O)NCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H15N5O3/c1-24-12-4-2-3-11(22)14(12)16(23)18-9-13-19-15(21-20-13)10-5-7-17-8-6-10/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyBKXLMERGKDSYEK-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.51
Rot. Bonds5

About 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 25106893) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID25106893
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCOc1cccc(O)c1C(=O)NCc1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H15N5O3/c1-24-12-4-2-3-11(22)14(12)16(23)18-9-13-19-15(21-20-13)10-5-7-17-8-6-10/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyBKXLMERGKDSYEK-UHFFFAOYSA-N
XLogP1.51
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 25106893) is 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is COc1cccc(O)c1C(=O)NCc1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is BKXLMERGKDSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-24-12-4-2-3-11(22)14(12)16(23)18-9-13-19-15(21-20-13)10-5-7-17-8-6-10/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 325.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 25106893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).