N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide

C12H8F3N5O — CID 175673078

IUPACN-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cnc(C(F)(F)F)nc1)c1ccncc1
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)11-17-5-8(6-18-11)7-19-20-10(21)9-1-3-16-4-2-9/h1-7H,(H,20,21)/b19-7+
InChIKeyAURGYGROHKAWJV-FBCYGCLPSA-N
MW295.22 g/mol
LogP1.65
Rot. Bonds3

About N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 175673078) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID175673078
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC NameN-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cnc(C(F)(F)F)nc1)c1ccncc1
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)11-17-5-8(6-18-11)7-19-20-10(21)9-1-3-16-4-2-9/h1-7H,(H,20,21)/b19-7+
InChIKeyAURGYGROHKAWJV-FBCYGCLPSA-N
XLogP1.65
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide (CID 175673078) is N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cnc(C(F)(F)F)nc1)c1ccncc1.
What is the InChIKey of N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is AURGYGROHKAWJV-FBCYGCLPSA-N. The full InChI is InChI=1S/C12H8F3N5O/c13-12(14,15)11-17-5-8(6-18-11)7-19-20-10(21)9-1-3-16-4-2-9/h1-7H,(H,20,21)/b19-7+.
What are the key properties of N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 295.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(trifluoromethyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 175673078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).