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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Related Compounds

1-(4-fluorophenyl)-4-({[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)piperazine
CID 2945688
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 10115868
2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridin-3-yl]acetamide
CID 15658012
2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 71586585
N,N-Dicyclohexyl-2-(5-pyridin-4-yl-tetrazol-2-yl)-acetamide
CID 653823
2-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 821825
1,5-diphenyl-N-(2-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
CID 900901
1,5-diphenyl-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 17052339
1-(2,5-difluorophenyl)-7-methyl-4-(4-methylpyridin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 45272621
2-[5-Ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine
CID 71762328
[(2R)-2-benzhydrylpyrrolidin-1-yl]-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methanone
CID 134810862
2-(4-{4-[8-(4-Fluoro-phenyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-ylamino]-phenyl}-piperidin-1-yl)-N,N-dimethyl-acetamide
CID 49839723

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).