(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide

C15H14N6O — CID 71829669

IUPAC(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCc1ccccn1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C15H14N6O/c22-15(17-10-13-8-4-5-9-16-13)14(21-11-18-19-20-21)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,17,22)/t14-/m0/s1
InChIKeyZVFCSBNKKBAUAJ-AWEZNQCLSA-N
MW294.32 g/mol
LogP0.97
Rot. Bonds5

About (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide

(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 71829669) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
PubChem CID71829669
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCc1ccccn1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C15H14N6O/c22-15(17-10-13-8-4-5-9-16-13)14(21-11-18-19-20-21)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,17,22)/t14-/m0/s1
InChIKeyZVFCSBNKKBAUAJ-AWEZNQCLSA-N
XLogP0.97
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 125444082
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2R)-N-cyclohexyl-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 39350754
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91777982
(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 99797044
(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124851461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide (CID 71829669) is (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide is O=C(NCc1ccccn1)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is ZVFCSBNKKBAUAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N6O/c22-15(17-10-13-8-4-5-9-16-13)14(21-11-18-19-20-21)12-6-2-1-3-7-12/h1-9,11,14H,10H2,(H,17,22)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 294.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71829669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).