N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide

C19H16ClFN4O — CID 109281739

IUPACN-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H16ClFN4O/c1-12-8-14(20)4-7-16(12)25-19(26)17-10-24-18(11-22-17)23-9-13-2-5-15(21)6-3-13/h2-8,10-11H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyXPONNBROZCFVNZ-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.44
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109281739) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109281739
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC NameN-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H16ClFN4O/c1-12-8-14(20)4-7-16(12)25-19(26)17-10-24-18(11-22-17)23-9-13-2-5-15(21)6-3-13/h2-8,10-11H,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyXPONNBROZCFVNZ-UHFFFAOYSA-N
XLogP4.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156635
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287092
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
N-(2,4-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284577

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide (CID 109281739) is N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is XPONNBROZCFVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-12-8-14(20)4-7-16(12)25-19(26)17-10-24-18(11-22-17)23-9-13-2-5-15(21)6-3-13/h2-8,10-11H,9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.44, 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-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).