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

C16H26N4O2 — CID 53203876

IUPACN-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-12(2)6-7-17-16(22)13-5-4-8-20(11-13)14-9-15(21)19(3)18-10-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,17,22)
InChIKeyFSBOXPIGZWIWAU-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.16
Rot. Bonds5

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

N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203876) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203876
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-12(2)6-7-17-16(22)13-5-4-8-20(11-13)14-9-15(21)19(3)18-10-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,17,22)
InChIKeyFSBOXPIGZWIWAU-UHFFFAOYSA-N
XLogP1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203876) is N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is FSBOXPIGZWIWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)6-7-17-16(22)13-5-4-8-20(11-13)14-9-15(21)19(3)18-10-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,17,22).
What are the key properties of N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).