2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide

C17H19N5O — CID 166186034

IUPAC2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccccn1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H19N5O/c1-13(2)21(11-14-7-5-6-10-18-14)17(23)12-22-16-9-4-3-8-15(16)19-20-22/h3-10,13H,11-12H2,1-2H3
InChIKeyGTBPSVNLKCOIIH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.26
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide

2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 166186034) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID166186034
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)N(Cc1ccccn1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H19N5O/c1-13(2)21(11-14-7-5-6-10-18-14)17(23)12-22-16-9-4-3-8-15(16)19-20-22/h3-10,13H,11-12H2,1-2H3
InChIKeyGTBPSVNLKCOIIH-UHFFFAOYSA-N
XLogP2.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987187
2-(benzotriazol-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987159
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987607
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
2-(benzotriazol-1-yl)-N-[1-(4-cyanophenyl)ethyl]-N-ethylacetamide
CID 42953959
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-2-phenylacetamide
CID 25456178
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 166281423

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide (CID 166186034) is 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide is CC(C)N(Cc1ccccn1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GTBPSVNLKCOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13(2)21(11-14-7-5-6-10-18-14)17(23)12-22-16-9-4-3-8-15(16)19-20-22/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide?
2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 166186034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).