N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide

C21H17N5O3 — CID 75398872

IUPACN-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide
SMILESCn1cnn(-c2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2)c1=O
InChIInChI=1S/C21H17N5O3/c1-25-14-23-26(21(25)28)16-10-8-15(9-11-16)24-20(27)18-6-2-3-7-19(18)29-17-5-4-12-22-13-17/h2-14H,1H3,(H,24,27)
InChIKeyQTODGKFEYKEKHH-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.01
Rot. Bonds5

About N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide

N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide (PubChem CID 75398872) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide
PubChem CID75398872
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide
SMILESCn1cnn(-c2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2)c1=O
InChIInChI=1S/C21H17N5O3/c1-25-14-23-26(21(25)28)16-10-8-15(9-11-16)24-20(27)18-6-2-3-7-19(18)29-17-5-4-12-22-13-17/h2-14H,1H3,(H,24,27)
InChIKeyQTODGKFEYKEKHH-UHFFFAOYSA-N
XLogP3.01
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenoxy-N-phenylbenzamide
CID 3402306
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819
N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide
CID 71906378
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
(2S,3R)-2-amino-3-methyl-N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]pentanamide
CID 99777132
1-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-[(1S,2S)-2-phenylcyclopropyl]urea
CID 97158582
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
CID 133462861
N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide
CID 95777270

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide?
The IUPAC name of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide (CID 75398872) is N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide is Cn1cnn(-c2ccc(NC(=O)c3ccccc3Oc3cccnc3)cc2)c1=O.
What is the InChIKey of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide?
The InChIKey is QTODGKFEYKEKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-25-14-23-26(21(25)28)16-10-8-15(9-11-16)24-20(27)18-6-2-3-7-19(18)29-17-5-4-12-22-13-17/h2-14H,1H3,(H,24,27).
What are the key properties of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide?
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide has a molecular weight of 387.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide is sourced from PubChem (CID 75398872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).