N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C19H31N5O2 — CID 50785835

IUPACN-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C19H31N5O2/c1-15(2)7-8-20-19(25)16-4-3-9-24(14-16)18-6-5-17(21-22-18)23-10-12-26-13-11-23/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,20,25)
InChIKeyXZBAVGNYMWJYNZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.69
Rot. Bonds6

About N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 50785835) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID50785835
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C19H31N5O2/c1-15(2)7-8-20-19(25)16-4-3-9-24(14-16)18-6-5-17(21-22-18)23-10-12-26-13-11-23/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,20,25)
InChIKeyXZBAVGNYMWJYNZ-UHFFFAOYSA-N
XLogP1.69
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 50785835) is N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(c2ccc(N3CCOCC3)nn2)C1.
What is the InChIKey of N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is XZBAVGNYMWJYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(2)7-8-20-19(25)16-4-3-9-24(14-16)18-6-5-17(21-22-18)23-10-12-26-13-11-23/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,20,25).
What are the key properties of N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50785835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).