N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide

C14H22N4O2 — CID 53202055

IUPACN-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-6-17(2)14(20)11-4-7-18(8-5-11)12-9-13(19)16-15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyPWMKEIAJLZAOEU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.85
Rot. Bonds4

About N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide

N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 53202055) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide
PubChem CID53202055
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-6-17(2)14(20)11-4-7-18(8-5-11)12-9-13(19)16-15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyPWMKEIAJLZAOEU-UHFFFAOYSA-N
XLogP0.85
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide (CID 53202055) is N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide is CCCN(C)C(=O)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is PWMKEIAJLZAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-6-17(2)14(20)11-4-7-18(8-5-11)12-9-13(19)16-15-10-12/h9-11H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide?
N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53202055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).