5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide

C20H25N5O3 — CID 7306735

About 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide

5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 7306735) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
• PubChem CID: 7306735
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
• SMILES: Cc1cnc(C(=O)N(CCC(=O)NCc2cccnc2)C[C@H]2CCCO2)cn1
• InChI: InChI=1S/C20H25N5O3/c1-15-10-23-18(13-22-15)20(27)25(14-17-5-3-9-28-17)8-6-19(26)24-12-16-4-2-7-21-11-16/h2,4,7,10-11,13,17H,3,5-6,8-9,12,14H2,1H3,(H,24,26)/t17-/m1/s1
• InChIKey: DCVALGTVKXBTNZ-QGZVFWFLSA-N
• XLogP: 1.51
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?

The IUPAC name of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide (CID 7306735) is 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?

The canonical SMILES for 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NCc2cccnc2)C[C@H]2CCCO2)cn1.

What is the InChIKey of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?

The InChIKey is DCVALGTVKXBTNZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-10-23-18(13-22-15)20(27)25(14-17-5-3-9-28-17)8-6-19(26)24-12-16-4-2-7-21-11-16/h2,4,7,10-11,13,17H,3,5-6,8-9,12,14H2,1H3,(H,24,26)/t17-/m1/s1.

What are the key properties of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?

5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7306735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).