5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

C19H16F2N4O2 — CID 109282276

IUPAC5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)9-24-19(26)16-10-23-18(11-22-16)25-13-6-7-14(20)15(21)8-13/h2-8,10-11H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyKMVNZXVYKATXGQ-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.44
Rot. Bonds6

About 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide

5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282276) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282276
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)9-24-19(26)16-10-23-18(11-22-16)25-13-6-7-14(20)15(21)8-13/h2-8,10-11H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyKMVNZXVYKATXGQ-UHFFFAOYSA-N
XLogP3.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281399
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282251
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109282276) is 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is KMVNZXVYKATXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-27-17-5-3-2-4-12(17)9-24-19(26)16-10-23-18(11-22-16)25-13-6-7-14(20)15(21)8-13/h2-8,10-11H,9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).