tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate

C31H41N7O5 — CID 129276154

About tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate

tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate (PubChem CID 129276154) has the molecular formula C31H41N7O5 and a molecular weight of 591.71 g/mol. Its IUPAC name is tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate
• PubChem CID: 129276154
• Molecular Formula: C31H41N7O5
• Molecular Weight: 591.71 g/mol
• Exact Mass: 591.32
• IUPAC Name: tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate
• SMILES: CCN(CC1CN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CO1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C31H41N7O5/c1-7-36(30(41)43-31(4,5)6)16-23-17-37(18-42-23)22-12-13-25(32-14-22)34-29-33-15-24-19(2)26(20(3)39)28(40)38(27(24)35-29)21-10-8-9-11-21/h12-15,21,23H,7-11,16-18H2,1-6H3,(H,32,33,34,35)
• InChIKey: PEGWURAPJJNBQG-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 131.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.71
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate?

The IUPAC name of tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate (CID 129276154) is tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate.

What is the SMILES notation for tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate?

The canonical SMILES for tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate is CCN(CC1CN(c2ccc(Nc3ncc4c(C)c(C(C)=O)c(=O)n(C5CCCC5)c4n3)nc2)CO1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate?

The InChIKey is PEGWURAPJJNBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O5/c1-7-36(30(41)43-31(4,5)6)16-23-17-37(18-42-23)22-12-13-25(32-14-22)34-29-33-15-24-19(2)26(20(3)39)28(40)38(27(24)35-29)21-10-8-9-11-21/h12-15,21,23H,7-11,16-18H2,1-6H3,(H,32,33,34,35).

What are the key properties of tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate?

tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate has a molecular weight of 591.71 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 129276154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).