1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C19H31N5O2 — CID 53202135

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCCCN3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H31N5O2/c1-22-18(25)14-17(15-21-22)24-12-6-16(7-13-24)19(26)20-8-5-11-23-9-3-2-4-10-23/h14-16H,2-13H2,1H3,(H,20,26)
InChIKeyASKPZCJBYGFNMR-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.99
Rot. Bonds6

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 53202135) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID53202135
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCCCN3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H31N5O2/c1-22-18(25)14-17(15-21-22)24-12-6-16(7-13-24)19(26)20-8-5-11-23-9-3-2-4-10-23/h14-16H,2-13H2,1H3,(H,20,26)
InChIKeyASKPZCJBYGFNMR-UHFFFAOYSA-N
XLogP0.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.99
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

1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-4-piperidinecarboxamide
CID 56891455
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
2-methyl-5-{4-[(1-propionyl-3-piperidinyl)carbonyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 72906911
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
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
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 53202135) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is Cn1ncc(N2CCC(C(=O)NCCCN3CCCCC3)CC2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is ASKPZCJBYGFNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22-18(25)14-17(15-21-22)24-12-6-16(7-13-24)19(26)20-8-5-11-23-9-3-2-4-10-23/h14-16H,2-13H2,1H3,(H,20,26).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).