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

C20H33N5O2 — CID 53204003

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1)C1CCCCC1
InChIInChI=1S/C20H33N5O2/c1-23(17-8-4-3-5-9-17)12-10-21-20(27)16-7-6-11-25(15-16)18-13-19(26)24(2)22-14-18/h13-14,16-17H,3-12,15H2,1-2H3,(H,21,27)
InChIKeyHUNCJSDEOLTEAF-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.38
Rot. Bonds6

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

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53204003) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53204003
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1)C1CCCCC1
InChIInChI=1S/C20H33N5O2/c1-23(17-8-4-3-5-9-17)12-10-21-20(27)16-7-6-11-25(15-16)18-13-19(26)24(2)22-14-18/h13-14,16-17H,3-12,15H2,1-2H3,(H,21,27)
InChIKeyHUNCJSDEOLTEAF-UHFFFAOYSA-N
XLogP1.38
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53204003) is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is CN(CCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is HUNCJSDEOLTEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-23(17-8-4-3-5-9-17)12-10-21-20(27)16-7-6-11-25(15-16)18-13-19(26)24(2)22-14-18/h13-14,16-17H,3-12,15H2,1-2H3,(H,21,27).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53204003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).