N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C16H12F3N7O — CID 9408817

IUPACN-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\c1ccncc1
InChIInChI=1S/C16H12F3N7O/c17-16(18,19)13-3-1-2-12(8-13)15-23-25-26(24-15)10-14(27)22-21-9-11-4-6-20-7-5-11/h1-9H,10H2,(H,22,27)/b21-9-
InChIKeySTUKJWIXXAEIBB-NKVSQWTQSA-N
MW375.31 g/mol
LogP1.90
Rot. Bonds5

About N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 9408817) has the molecular formula C16H12F3N7O and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID9408817
Molecular FormulaC16H12F3N7O
Molecular Weight375.31 g/mol
Exact Mass375.11
IUPAC NameN-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\c1ccncc1
InChIInChI=1S/C16H12F3N7O/c17-16(18,19)13-3-1-2-12(8-13)15-23-25-26(24-15)10-14(27)22-21-9-11-4-6-20-7-5-11/h1-9H,10H2,(H,22,27)/b21-9-
InChIKeySTUKJWIXXAEIBB-NKVSQWTQSA-N
XLogP1.90
TPSA97.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 9408803
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408832
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408814
N-[(Z)-cyclohexylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408835
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408810
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 21229755
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 9408817) is N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\c1ccncc1.
What is the InChIKey of N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is STUKJWIXXAEIBB-NKVSQWTQSA-N. The full InChI is InChI=1S/C16H12F3N7O/c17-16(18,19)13-3-1-2-12(8-13)15-23-25-26(24-15)10-14(27)22-21-9-11-4-6-20-7-5-11/h1-9H,10H2,(H,22,27)/b21-9-.
What are the key properties of N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 375.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-4-ylmethylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 9408817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).