2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C19H29N5O3 — CID 91917388

IUPAC2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCCCN3CCCC3=O)C2)cc1=O
InChIInChI=1S/C19H29N5O3/c1-22-19(27)12-16(13-21-22)24-9-2-5-15(14-24)11-17(25)20-7-4-10-23-8-3-6-18(23)26/h12-13,15H,2-11,14H2,1H3,(H,20,25)
InChIKeyIRQVAANUHGNAJV-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.52
Rot. Bonds7

About 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 91917388) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID91917388
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCCCN3CCCC3=O)C2)cc1=O
InChIInChI=1S/C19H29N5O3/c1-22-19(27)12-16(13-21-22)24-9-2-5-15(14-24)11-17(25)20-7-4-10-23-8-3-6-18(23)26/h12-13,15H,2-11,14H2,1H3,(H,20,25)
InChIKeyIRQVAANUHGNAJV-UHFFFAOYSA-N
XLogP0.52
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91917444
2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917430
N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
CID 91917412
N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
CID 91917506
N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
CID 91917398
4-chloro-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-5-carboxamide
CID 6464749
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 53203905
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203909
(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115533
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46294824
2-cyclohexyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
CID 91924035

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 91917388) is 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cn1ncc(N2CCCC(CC(=O)NCCCN3CCCC3=O)C2)cc1=O.
What is the InChIKey of 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is IRQVAANUHGNAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-22-19(27)12-16(13-21-22)24-9-2-5-15(14-24)11-17(25)20-7-4-10-23-8-3-6-18(23)26/h12-13,15H,2-11,14H2,1H3,(H,20,25).
What are the key properties of 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 91917388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).