6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide

C13H12ClFN4O — CID 133431049

IUPAC6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide
SMILESCN(Cc1ccc(Cl)c(F)c1)c1cncc(C(N)=O)n1
InChIInChI=1S/C13H12ClFN4O/c1-19(7-8-2-3-9(14)10(15)4-8)12-6-17-5-11(18-12)13(16)20/h2-6H,7H2,1H3,(H2,16,20)
InChIKeyMFJRSYVSLQTOPE-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.00
Rot. Bonds4

About 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide

6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide (PubChem CID 133431049) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide
PubChem CID133431049
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide
SMILESCN(Cc1ccc(Cl)c(F)c1)c1cncc(C(N)=O)n1
InChIInChI=1S/C13H12ClFN4O/c1-19(7-8-2-3-9(14)10(15)4-8)12-6-17-5-11(18-12)13(16)20/h2-6H,7H2,1H3,(H2,16,20)
InChIKeyMFJRSYVSLQTOPE-UHFFFAOYSA-N
XLogP2.00
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide
CID 133424962
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 54943226
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide
CID 133358420
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457207
3-amino-N-[(4-chloro-3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120873782
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133431133
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide (CID 133431049) is 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide is CN(Cc1ccc(Cl)c(F)c1)c1cncc(C(N)=O)n1.
What is the InChIKey of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide?
The InChIKey is MFJRSYVSLQTOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c1-19(7-8-2-3-9(14)10(15)4-8)12-6-17-5-11(18-12)13(16)20/h2-6H,7H2,1H3,(H2,16,20).
What are the key properties of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide?
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133431049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).