1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C23H36N6O4 — CID 91909591

IUPAC1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCOCCn1ncc(N2CCC(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2)cc1=O
InChIInChI=1S/C23H36N6O4/c1-33-14-13-29-20(30)15-19(16-25-29)27-10-5-18(17-27)21(31)26-11-6-23(7-12-26,22(24)32)28-8-3-2-4-9-28/h15-16,18H,2-14,17H2,1H3,(H2,24,32)
InChIKeyYDILBHSTAMHKAW-UHFFFAOYSA-N
MW460.58 g/mol
LogP0.05
Rot. Bonds7

About 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 91909591) has the molecular formula C23H36N6O4 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID91909591
Molecular FormulaC23H36N6O4
Molecular Weight460.58 g/mol
Exact Mass460.28
IUPAC Name1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCOCCn1ncc(N2CCC(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2)cc1=O
InChIInChI=1S/C23H36N6O4/c1-33-14-13-29-20(30)15-19(16-25-29)27-10-5-18(17-27)21(31)26-11-6-23(7-12-26,22(24)32)28-8-3-2-4-9-28/h15-16,18H,2-14,17H2,1H3,(H2,24,32)
InChIKeyYDILBHSTAMHKAW-UHFFFAOYSA-N
XLogP0.05
TPSA114.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 91909591) is 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is COCCn1ncc(N2CCC(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)C2)cc1=O.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is YDILBHSTAMHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O4/c1-33-14-13-29-20(30)15-19(16-25-29)27-10-5-18(17-27)21(31)26-11-6-23(7-12-26,22(24)32)28-8-3-2-4-9-28/h15-16,18H,2-14,17H2,1H3,(H2,24,32).
What are the key properties of 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91909591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).