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

C17H16F2N6O3 — CID 121351454

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

3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351454) has the molecular formula C17H16F2N6O3 and a molecular weight of 390.35 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 121351454
• Molecular Formula: C17H16F2N6O3
• Molecular Weight: 390.35 g/mol
• Exact Mass: 390.13
• IUPAC Name: 3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1nc(C(=O)NCc2cccn(CC(F)F)c2=O)c(N)nc1-c1ncco1
• InChI: InChI=1S/C17H16F2N6O3/c1-9-12(16-21-4-6-28-16)24-14(20)13(23-9)15(26)22-7-10-3-2-5-25(17(10)27)8-11(18)19/h2-6,11H,7-8H2,1H3,(H2,20,24)(H,22,26)
• InChIKey: DORBKWWPPAYPCL-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 128.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.35
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351454) is 3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2cccn(CC(F)F)c2=O)c(N)nc1-c1ncco1.

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

The InChIKey is DORBKWWPPAYPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O3/c1-9-12(16-21-4-6-28-16)24-14(20)13(23-9)15(26)22-7-10-3-2-5-25(17(10)27)8-11(18)19/h2-6,11H,7-8H2,1H3,(H2,20,24)(H,22,26).

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

3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 390.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).