1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide

C14H22N4O2 — CID 53203874

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-3-6-15-14(20)11-5-4-7-18(10-11)12-8-13(19)17(2)16-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,15,20)
InChIKeyFDBQEQTZTYEHDK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.52
Rot. Bonds4

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide (PubChem CID 53203874) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide
PubChem CID53203874
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-3-6-15-14(20)11-5-4-7-18(10-11)12-8-13(19)17(2)16-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,15,20)
InChIKeyFDBQEQTZTYEHDK-UHFFFAOYSA-N
XLogP0.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-{4-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72861124
5-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72887593
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
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide (CID 53203874) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide?
The InChIKey is FDBQEQTZTYEHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-6-15-14(20)11-5-4-7-18(10-11)12-8-13(19)17(2)16-9-12/h8-9,11H,3-7,10H2,1-2H3,(H,15,20).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 53203874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).