3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide

C19H14ClF3N4O2 — CID 155209170

IUPAC3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C19H14ClF3N4O2/c20-16-14(10-5-7-12(21)8-6-10)27-17(24)15(26-16)18(28)25-9-11-3-1-2-4-13(11)29-19(22)23/h1-8,19H,9H2,(H2,24,27)(H,25,28)
InChIKeyRLFIMFJYUWLFHJ-UHFFFAOYSA-N
MW422.79 g/mol
LogP4.05
Rot. Bonds6

About 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide

3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 155209170) has the molecular formula C19H14ClF3N4O2 and a molecular weight of 422.79 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID155209170
Molecular FormulaC19H14ClF3N4O2
Molecular Weight422.79 g/mol
Exact Mass422.08
IUPAC Name3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C19H14ClF3N4O2/c20-16-14(10-5-7-12(21)8-6-10)27-17(24)15(26-16)18(28)25-9-11-3-1-2-4-13(11)29-19(22)23/h1-8,19H,9H2,(H2,24,27)(H,25,28)
InChIKeyRLFIMFJYUWLFHJ-UHFFFAOYSA-N
XLogP4.05
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide (CID 155209170) is 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide is Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is RLFIMFJYUWLFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2/c20-16-14(10-5-7-12(21)8-6-10)27-17(24)15(26-16)18(28)25-9-11-3-1-2-4-13(11)29-19(22)23/h1-8,19H,9H2,(H2,24,27)(H,25,28).
What are the key properties of 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 422.79 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).