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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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).