N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide

C16H26N4O2 — CID 70739005

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide
SMILESCCCCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-3-4-5-6-15(21)17-10-13-7-8-20(12-13)14-9-16(22)19(2)18-11-14/h9,11,13H,3-8,10,12H2,1-2H3,(H,17,21)
InChIKeyZLNVHEXGDXRPSW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds7

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide (PubChem CID 70739005) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide
PubChem CID70739005
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide
SMILESCCCCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-3-4-5-6-15(21)17-10-13-7-8-20(12-13)14-9-16(22)19(2)18-11-14/h9,11,13H,3-8,10,12H2,1-2H3,(H,17,21)
InChIKeyZLNVHEXGDXRPSW-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
N-(2-Methylpropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202197
N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202213
1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-propylpiperidine-3-carboxamide
CID 53203874
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203876

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide (CID 70739005) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide is CCCCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
The InChIKey is ZLNVHEXGDXRPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-4-5-6-15(21)17-10-13-7-8-20(12-13)14-9-16(22)19(2)18-11-14/h9,11,13H,3-8,10,12H2,1-2H3,(H,17,21).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide has a molecular weight of 306.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]hexanamide is sourced from PubChem (CID 70739005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).