3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide

C20H16F2N8O2 — CID 146380235

About 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146380235) has the molecular formula C20H16F2N8O2 and a molecular weight of 438.40 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 146380235
• Molecular Formula: C20H16F2N8O2
• Molecular Weight: 438.40 g/mol
• Exact Mass: 438.14
• IUPAC Name: 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
• SMILES: Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-n2nccn2)ccc1=O
• InChI: InChI=1S/C20H16F2N8O2/c1-29-10-11(5-6-15(29)31)16-19(30-25-7-8-26-30)28-18(23)17(27-16)20(32)24-9-12-13(21)3-2-4-14(12)22/h2-8,10H,9H2,1H3,(H2,23,28)(H,24,32)
• InChIKey: UYISQIQFMVKYFR-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 133.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.40
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 146380235) is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-n2nccn2)ccc1=O.

What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?

The InChIKey is UYISQIQFMVKYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N8O2/c1-29-10-11(5-6-15(29)31)16-19(30-25-7-8-26-30)28-18(23)17(27-16)20(32)24-9-12-13(21)3-2-4-14(12)22/h2-8,10H,9H2,1H3,(H2,23,28)(H,24,32).

What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 438.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).