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

C18H16N6O2 — CID 135900228

IUPAC2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3c[nH]c4ncccc34)n[nH]2)c1O
InChIInChI=1S/C18H16N6O2/c1-10-4-2-5-12(15(10)25)18(26)21-9-14-22-17(24-23-14)13-8-20-16-11(13)6-3-7-19-16/h2-8,25H,9H2,1H3,(H,19,20)(H,21,26)(H,22,23,24)
InChIKeyAGCRNMFSFKMZTE-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.29
Rot. Bonds4

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

2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 135900228) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID135900228
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3c[nH]c4ncccc34)n[nH]2)c1O
InChIInChI=1S/C18H16N6O2/c1-10-4-2-5-12(15(10)25)18(26)21-9-14-22-17(24-23-14)13-8-20-16-11(13)6-3-7-19-16/h2-8,25H,9H2,1H3,(H,19,20)(H,21,26)(H,22,23,24)
InChIKeyAGCRNMFSFKMZTE-UHFFFAOYSA-N
XLogP2.29
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 163534666
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide
CID 91782901
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214
2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
CID 56524162
2,8-dimethyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 46997083
2-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60975112
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 135900228) is 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is Cc1cccc(C(=O)NCc2nc(-c3c[nH]c4ncccc34)n[nH]2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is AGCRNMFSFKMZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-10-4-2-5-12(15(10)25)18(26)21-9-14-22-17(24-23-14)13-8-20-16-11(13)6-3-7-19-16/h2-8,25H,9H2,1H3,(H,19,20)(H,21,26)(H,22,23,24).
What are the key properties of 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 135900228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).