2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

C18H21N7O3 — CID 162376524

About 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376524) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
• PubChem CID: 162376524
• Molecular Formula: C18H21N7O3
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.17
• IUPAC Name: 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
• SMILES: NC(=O)c1ccnc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)n1
• InChI: InChI=1S/C18H21N7O3/c19-16(26)13-1-5-22-18(23-13)24-8-2-12(3-9-24)17(27)25-15(4-10-28-25)14-11-20-6-7-21-14/h1,5-7,11-12,15H,2-4,8-10H2,(H2,19,26)/t15-/m0/s1
• InChIKey: HJFVPLBRCCUSRG-HNNXBMFYSA-N
• XLogP: 0.49
• TPSA: 127.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?

The IUPAC name of 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376524) is 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?

The canonical SMILES for 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)n1.

What is the InChIKey of 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?

The InChIKey is HJFVPLBRCCUSRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N7O3/c19-16(26)13-1-5-22-18(23-13)24-8-2-12(3-9-24)17(27)25-15(4-10-28-25)14-11-20-6-7-21-14/h1,5-7,11-12,15H,2-4,8-10H2,(H2,19,26)/t15-/m0/s1.

What are the key properties of 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?

2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).