1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide

C18H29N5O2 — CID 70748999

IUPAC1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCN1CCC(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N5O2/c1-3-22-7-6-15(13-22)18(25)19-11-14-4-8-23(9-5-14)16-10-17(24)21(2)20-12-16/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,19,25)
InChIKeyTVMLCIIIAPXVKP-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.45
Rot. Bonds5

About 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide

1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 70748999) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID70748999
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCN1CCC(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N5O2/c1-3-22-7-6-15(13-22)18(25)19-11-14-4-8-23(9-5-14)16-10-17(24)21(2)20-12-16/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,19,25)
InChIKeyTVMLCIIIAPXVKP-UHFFFAOYSA-N
XLogP0.45
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

Ethyl 4-({[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}amino)piperidine-1-carboxylate
CID 45232508
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
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-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202050
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide (CID 70748999) is 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide is CCN1CCC(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)C1.
What is the InChIKey of 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is TVMLCIIIAPXVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-22-7-6-15(13-22)18(25)19-11-14-4-8-23(9-5-14)16-10-17(24)21(2)20-12-16/h10,12,14-15H,3-9,11,13H2,1-2H3,(H,19,25).
What are the key properties of 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70748999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).