2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide

C19H30N6O2 — CID 78823441

IUPAC2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESN#CCCN(CCN1CCOCC1)CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H30N6O2/c20-7-3-9-24(11-10-23-12-14-27-15-13-23)16-19(26)22-18-6-8-21-25(18)17-4-1-2-5-17/h6,8,17H,1-5,9-16H2,(H,22,26)
InChIKeyXJFXMCOCICXHPQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.48
Rot. Bonds9

About 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 78823441) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID78823441
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESN#CCCN(CCN1CCOCC1)CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H30N6O2/c20-7-3-9-24(11-10-23-12-14-27-15-13-23)16-19(26)22-18-6-8-21-25(18)17-4-1-2-5-17/h6,8,17H,1-5,9-16H2,(H,22,26)
InChIKeyXJFXMCOCICXHPQ-UHFFFAOYSA-N
XLogP1.48
TPSA86.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 78823441) is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide is N#CCCN(CCN1CCOCC1)CC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is XJFXMCOCICXHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c20-7-3-9-24(11-10-23-12-14-27-15-13-23)16-19(26)22-18-6-8-21-25(18)17-4-1-2-5-17/h6,8,17H,1-5,9-16H2,(H,22,26).
What are the key properties of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 78823441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).