N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide

C19H17FN4O — CID 109281332

IUPACN-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cnc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C19H17FN4O/c1-13-6-2-5-9-16(13)24-18-12-21-17(11-22-18)19(25)23-10-14-7-3-4-8-15(14)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYLFCDHAUXVPCBE-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.60
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide (PubChem CID 109281332) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
PubChem CID109281332
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cnc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C19H17FN4O/c1-13-6-2-5-9-16(13)24-18-12-21-17(11-22-18)19(25)23-10-14-7-3-4-8-15(14)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyYLFCDHAUXVPCBE-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281399
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109281831
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide (CID 109281332) is N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide is Cc1ccccc1Nc1cnc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
The InChIKey is YLFCDHAUXVPCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-6-2-5-9-16(13)24-18-12-21-17(11-22-18)19(25)23-10-14-7-3-4-8-15(14)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109281332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).