3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

C19H21N5O — CID 118768447

IUPAC3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)N(C)C(C)c3ccccn3)c2)nn1C
InChIInChI=1S/C19H21N5O/c1-13(17-10-5-6-11-20-17)23(3)19(25)16-9-7-8-15(12-16)18-21-14(2)24(4)22-18/h5-13H,1-4H3
InChIKeyWXXHZESFIIDUNR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds4

About 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 118768447) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID118768447
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)N(C)C(C)c3ccccn3)c2)nn1C
InChIInChI=1S/C19H21N5O/c1-13(17-10-5-6-11-20-17)23(3)19(25)16-9-7-8-15(12-16)18-21-14(2)24(4)22-18/h5-13H,1-4H3
InChIKeyWXXHZESFIIDUNR-UHFFFAOYSA-N
XLogP3.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (CID 118768447) is 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is Cc1nc(-c2cccc(C(=O)N(C)C(C)c3ccccn3)c2)nn1C.
What is the InChIKey of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is WXXHZESFIIDUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(17-10-5-6-11-20-17)23(3)19(25)16-9-7-8-15(12-16)18-21-14(2)24(4)22-18/h5-13H,1-4H3.
What are the key properties of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 118768447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).