3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

C18H27N3O — CID 90621185

IUPAC3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H27N3O/c22-18(10-9-15-6-2-1-3-7-15)20-16-11-13-21(14-16)17-8-4-5-12-19-17/h4-5,8,12,15-16H,1-3,6-7,9-11,13-14H2,(H,20,22)
InChIKeyQWEDRZTXJNWXSX-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.14
Rot. Bonds5

About 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (PubChem CID 90621185) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
PubChem CID90621185
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H27N3O/c22-18(10-9-15-6-2-1-3-7-15)20-16-11-13-21(14-16)17-8-4-5-12-19-17/h4-5,8,12,15-16H,1-3,6-7,9-11,13-14H2,(H,20,22)
InChIKeyQWEDRZTXJNWXSX-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (CID 90621185) is 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is O=C(CCC1CCCCC1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The InChIKey is QWEDRZTXJNWXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(10-9-15-6-2-1-3-7-15)20-16-11-13-21(14-16)17-8-4-5-12-19-17/h4-5,8,12,15-16H,1-3,6-7,9-11,13-14H2,(H,20,22).
What are the key properties of 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide has a molecular weight of 301.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 90621185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).