N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide

C13H9F3N4O — CID 939997

IUPACN-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
SMILESO=C(NN=Cc1ccc(C(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)10-3-1-9(2-4-10)7-19-20-12(21)11-8-17-5-6-18-11/h1-8H,(H,20,21)
InChIKeyCKTZOJVTOQFJDM-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.26
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide

N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide (PubChem CID 939997) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
PubChem CID939997
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
SMILESO=C(NN=Cc1ccc(C(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)10-3-1-9(2-4-10)7-19-20-12(21)11-8-17-5-6-18-11/h1-8H,(H,20,21)
InChIKeyCKTZOJVTOQFJDM-UHFFFAOYSA-N
XLogP2.26
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 167450857
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
5-tert-butyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 2042115
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279
N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 175673078
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide (CID 939997) is N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide is O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1cnccn1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
The InChIKey is CKTZOJVTOQFJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)10-3-1-9(2-4-10)7-19-20-12(21)11-8-17-5-6-18-11/h1-8H,(H,20,21).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide has a molecular weight of 294.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 939997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).