N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide

C15H12ClF3N4O — CID 109272317

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C15H12ClF3N4O/c1-2-5-20-13-8-21-12(7-22-13)14(24)23-11-4-3-9(16)6-10(11)15(17,18)19/h2-4,6-8H,1,5H2,(H,20,22)(H,23,24)
InChIKeyRNMDMWSAIBCOLZ-UHFFFAOYSA-N
MW356.74 g/mol
LogP4.00
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272317) has the molecular formula C15H12ClF3N4O and a molecular weight of 356.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272317
Molecular FormulaC15H12ClF3N4O
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C15H12ClF3N4O/c1-2-5-20-13-8-21-12(7-22-13)14(24)23-11-4-3-9(16)6-10(11)15(17,18)19/h2-4,6-8H,1,5H2,(H,20,22)(H,23,24)
InChIKeyRNMDMWSAIBCOLZ-UHFFFAOYSA-N
XLogP4.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109272282
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272257
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272324
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882632
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153836
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272317) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is RNMDMWSAIBCOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O/c1-2-5-20-13-8-21-12(7-22-13)14(24)23-11-4-3-9(16)6-10(11)15(17,18)19/h2-4,6-8H,1,5H2,(H,20,22)(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 356.74 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).