[2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate

C24H34N6O4 — CID 67017639

About [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate

[2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate (PubChem CID 67017639) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
• PubChem CID: 67017639
• Molecular Formula: C24H34N6O4
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.26
• IUPAC Name: [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
• SMILES: COc1ccc(NC(=O)Oc2c(NCCN3CCCC3)cc[nH]c2=O)cc1N1CCN(C)CC1
• InChI: InChI=1S/C24H34N6O4/c1-28-13-15-30(16-14-28)20-17-18(5-6-21(20)33-2)27-24(32)34-22-19(7-8-26-23(22)31)25-9-12-29-10-3-4-11-29/h5-8,17H,3-4,9-16H2,1-2H3,(H,27,32)(H2,25,26,31)
• InChIKey: ZYWLENLQWXKXEJ-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 102.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?

The IUPAC name of [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate (CID 67017639) is [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate.

What is the SMILES notation for [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?

The canonical SMILES for [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate is COc1ccc(NC(=O)Oc2c(NCCN3CCCC3)cc[nH]c2=O)cc1N1CCN(C)CC1.

What is the InChIKey of [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?

The InChIKey is ZYWLENLQWXKXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-28-13-15-30(16-14-28)20-17-18(5-6-21(20)33-2)27-24(32)34-22-19(7-8-26-23(22)31)25-9-12-29-10-3-4-11-29/h5-8,17H,3-4,9-16H2,1-2H3,(H,27,32)(H2,25,26,31).

What are the key properties of [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate?

[2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate has a molecular weight of 470.57 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate is sourced from PubChem (CID 67017639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).