N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide

C20H15FN6O — CID 71791438

IUPACN-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide
SMILESO=C(c1nnn(-c2ccc(F)cc2)n1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H15FN6O/c21-16-9-11-17(12-10-16)27-24-19(23-25-27)20(28)26(18-8-4-5-13-22-18)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyOUOKGXWACZIFLY-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.04
Rot. Bonds5

About N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide

N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide (PubChem CID 71791438) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide
PubChem CID71791438
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC NameN-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide
SMILESO=C(c1nnn(-c2ccc(F)cc2)n1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H15FN6O/c21-16-9-11-17(12-10-16)27-24-19(23-25-27)20(28)26(18-8-4-5-13-22-18)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyOUOKGXWACZIFLY-UHFFFAOYSA-N
XLogP3.04
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide (CID 71791438) is N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide is O=C(c1nnn(-c2ccc(F)cc2)n1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide?
The InChIKey is OUOKGXWACZIFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O/c21-16-9-11-17(12-10-16)27-24-19(23-25-27)20(28)26(18-8-4-5-13-22-18)14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide?
N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)-N-pyridin-2-yltetrazole-5-carboxamide is sourced from PubChem (CID 71791438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).