N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide

C21H25N5O2 — CID 121413999

IUPACN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H25N5O2/c1-4-25(15-12-16-8-7-11-19(24-16)21(2,3)28)20(27)17-9-5-6-10-18(17)26-22-13-14-23-26/h5-11,13-14,28H,4,12,15H2,1-3H3
InChIKeyDUNDFWGLWSGQKD-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.59
Rot. Bonds7

About N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 121413999) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID121413999
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H25N5O2/c1-4-25(15-12-16-8-7-11-19(24-16)21(2,3)28)20(27)17-9-5-6-10-18(17)26-22-13-14-23-26/h5-11,13-14,28H,4,12,15H2,1-3H3
InChIKeyDUNDFWGLWSGQKD-UHFFFAOYSA-N
XLogP2.59
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)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-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide (CID 121413999) is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is DUNDFWGLWSGQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-25(15-12-16-8-7-11-19(24-16)21(2,3)28)20(27)17-9-5-6-10-18(17)26-22-13-14-23-26/h5-11,13-14,28H,4,12,15H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 121413999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).