6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide

C20H26N6O3 — CID 137193705

About 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide

6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide (PubChem CID 137193705) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide
• PubChem CID: 137193705
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide
• SMILES: O=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCC2)c1cc(=O)[nH]cn1
• InChI: InChI=1S/C20H26N6O3/c27-18-11-17(22-13-23-18)20(29)21-12-15-5-1-2-7-25(15)8-9-26-19(28)10-14-4-3-6-16(14)24-26/h10-11,13,15H,1-9,12H2,(H,21,29)(H,22,23,27)
• InChIKey: FATCRGHZTAELNK-UHFFFAOYSA-N
• XLogP: 0.10
• TPSA: 112.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	0.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide?

The IUPAC name of 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide (CID 137193705) is 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide?

The canonical SMILES for 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide is O=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCC2)c1cc(=O)[nH]cn1.

What is the InChIKey of 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide?

The InChIKey is FATCRGHZTAELNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c27-18-11-17(22-13-23-18)20(29)21-12-15-5-1-2-7-25(15)8-9-26-19(28)10-14-4-3-6-16(14)24-26/h10-11,13,15H,1-9,12H2,(H,21,29)(H,22,23,27).

What are the key properties of 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide?

6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137193705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).