N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

C15H15FN4O2 — CID 56740174

IUPACN-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)c2cnccn2)c(F)c1
InChIInChI=1S/C15H15FN4O2/c1-9-3-4-12(11(16)7-9)20-14(21)10(2)19-15(22)13-8-17-5-6-18-13/h3-8,10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyJBWJDENIRSRKIN-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.68
Rot. Bonds4

About N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 56740174) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
PubChem CID56740174
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)c2cnccn2)c(F)c1
InChIInChI=1S/C15H15FN4O2/c1-9-3-4-12(11(16)7-9)20-14(21)10(2)19-15(22)13-8-17-5-6-18-13/h3-8,10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyJBWJDENIRSRKIN-UHFFFAOYSA-N
XLogP1.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
CID 103820427
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
N-(2-fluoro-4-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639628
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 75507095
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 56740174) is N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is Cc1ccc(NC(=O)C(C)NC(=O)c2cnccn2)c(F)c1.
What is the InChIKey of N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is JBWJDENIRSRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-9-3-4-12(11(16)7-9)20-14(21)10(2)19-15(22)13-8-17-5-6-18-13/h3-8,10H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 56740174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).