N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C14H22N4O2 — CID 53202150

IUPACN-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NC)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-3-6-18-13(19)9-12(10-16-18)17-7-4-11(5-8-17)14(20)15-2/h9-11H,3-8H2,1-2H3,(H,15,20)
InChIKeyXIQJWARJIIXKFP-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds4

About N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202150) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202150
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NC)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-3-6-18-13(19)9-12(10-16-18)17-7-4-11(5-8-17)14(20)15-2/h9-11H,3-8H2,1-2H3,(H,15,20)
InChIKeyXIQJWARJIIXKFP-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202150) is N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NC)CC2)cc1=O.
What is the InChIKey of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is XIQJWARJIIXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-6-18-13(19)9-12(10-16-18)17-7-4-11(5-8-17)14(20)15-2/h9-11H,3-8H2,1-2H3,(H,15,20).
What are the key properties of N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).