N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide

C20H19FN4O — CID 109281464

IUPACN-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCc3ccccc3F)cn2)c(C)c1
InChIInChI=1S/C20H19FN4O/c1-13-7-8-17(14(2)9-13)25-20(26)18-11-24-19(12-22-18)23-10-15-5-3-4-6-16(15)21/h3-9,11-12H,10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyISVLPVRGVXTSSC-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.10
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide

N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109281464) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109281464
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCc3ccccc3F)cn2)c(C)c1
InChIInChI=1S/C20H19FN4O/c1-13-7-8-17(14(2)9-13)25-20(26)18-11-24-19(12-22-18)23-10-15-5-3-4-6-16(15)21/h3-9,11-12H,10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyISVLPVRGVXTSSC-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211300
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
N-(2-ethoxyphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281497
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109287359
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
5-[(2-fluorophenyl)methylamino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109281495
5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109189944
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide (CID 109281464) is N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(NCc3ccccc3F)cn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is ISVLPVRGVXTSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-7-8-17(14(2)9-13)25-20(26)18-11-24-19(12-22-18)23-10-15-5-3-4-6-16(15)21/h3-9,11-12H,10H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).