N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C19H31N5O2 — CID 53203862

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1
InChIInChI=1S/C19H31N5O2/c1-23(16-7-3-2-4-8-16)11-9-20-19(26)15-6-5-10-24(14-15)17-12-18(25)22-21-13-17/h12-13,15-16H,2-11,14H2,1H3,(H,20,26)(H,22,25)
InChIKeyLTPZAOYDLFDVNZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.37
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203862) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203862
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1
InChIInChI=1S/C19H31N5O2/c1-23(16-7-3-2-4-8-16)11-9-20-19(26)15-6-5-10-24(14-15)17-12-18(25)22-21-13-17/h12-13,15-16H,2-11,14H2,1H3,(H,20,26)(H,22,25)
InChIKeyLTPZAOYDLFDVNZ-UHFFFAOYSA-N
XLogP1.37
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203862) is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is CN(CCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is LTPZAOYDLFDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-23(16-7-3-2-4-8-16)11-9-20-19(26)15-6-5-10-24(14-15)17-12-18(25)22-21-13-17/h12-13,15-16H,2-11,14H2,1H3,(H,20,26)(H,22,25).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).