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

C16H15N5O3 — CID 25106894

IUPAC2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c(O)c1
InChIInChI=1S/C16H15N5O3/c1-24-11-2-3-12(13(22)8-11)16(23)18-9-14-19-15(21-20-14)10-4-6-17-7-5-10/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyTVHKDXPIZZQTPK-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.51
Rot. Bonds5

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

2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 25106894) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID25106894
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c(O)c1
InChIInChI=1S/C16H15N5O3/c1-24-11-2-3-12(13(22)8-11)16(23)18-9-14-19-15(21-20-14)10-4-6-17-7-5-10/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyTVHKDXPIZZQTPK-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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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672587
3-bromo-2-hydroxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-methylbenzamide
CID 56527807
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 56524273
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 56524024
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450
5-(4-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 56527832
3,5-difluoro-N-[2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 56527800
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 25106894) is 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is COc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is TVHKDXPIZZQTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-24-11-2-3-12(13(22)8-11)16(23)18-9-14-19-15(21-20-14)10-4-6-17-7-5-10/h2-8,22H,9H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
2-hydroxy-4-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-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 25106894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).