N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide

C14H14FN3O — CID 24660078

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(F)c(C)c2)cn1
InChIInChI=1S/C14H14FN3O/c1-9-5-11(3-4-12(9)15)7-18-14(19)13-8-16-10(2)6-17-13/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyPVIRBFNINZCDJJ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.16
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 24660078) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID24660078
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(F)c(C)c2)cn1
InChIInChI=1S/C14H14FN3O/c1-9-5-11(3-4-12(9)15)7-18-14(19)13-8-16-10(2)6-17-13/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyPVIRBFNINZCDJJ-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980526
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095
6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-sulfonyl chloride
CID 89292808
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
CID 46533069
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
4-N-[(4-fluoro-3-methylphenyl)methyl]-6-N-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 11756359
5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462500

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide (CID 24660078) is N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2ccc(F)c(C)c2)cn1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is PVIRBFNINZCDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-5-11(3-4-12(9)15)7-18-14(19)13-8-16-10(2)6-17-13/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 24660078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).