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

C20H21N5O — CID 71866938

IUPACN-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N(C3CC3)C(C)c3ccccn3)cc2)n[nH]1
InChIInChI=1S/C20H21N5O/c1-13(18-5-3-4-12-21-18)25(17-10-11-17)20(26)16-8-6-15(7-9-16)19-22-14(2)23-24-19/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,24)
InChIKeySRMKFTZBORPIDE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.54
Rot. Bonds5

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

N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 71866938) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID71866938
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N(C3CC3)C(C)c3ccccn3)cc2)n[nH]1
InChIInChI=1S/C20H21N5O/c1-13(18-5-3-4-12-21-18)25(17-10-11-17)20(26)16-8-6-15(7-9-16)19-22-14(2)23-24-19/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,24)
InChIKeySRMKFTZBORPIDE-UHFFFAOYSA-N
XLogP3.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide (CID 71866938) is N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide is Cc1nc(-c2ccc(C(=O)N(C3CC3)C(C)c3ccccn3)cc2)n[nH]1.
What is the InChIKey of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is SRMKFTZBORPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13(18-5-3-4-12-21-18)25(17-10-11-17)20(26)16-8-6-15(7-9-16)19-22-14(2)23-24-19/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,24).
What are the key properties of N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide?
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 71866938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).