2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

C20H30N4O2 — CID 136517453

IUPAC2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C20H30N4O2/c1-15(22-19(25)13-16-7-3-2-4-8-16)20(26)23-17-10-12-24(14-17)18-9-5-6-11-21-18/h5-6,9,11,15-17H,2-4,7-8,10,12-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyHYXFOKCLCUUCKF-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.25
Rot. Bonds6

About 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (PubChem CID 136517453) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
PubChem CID136517453
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C20H30N4O2/c1-15(22-19(25)13-16-7-3-2-4-8-16)20(26)23-17-10-12-24(14-17)18-9-5-6-11-21-18/h5-6,9,11,15-17H,2-4,7-8,10,12-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyHYXFOKCLCUUCKF-UHFFFAOYSA-N
XLogP2.25
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
CID 110026123
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 110012790
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (CID 136517453) is 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is CC(NC(=O)CC1CCCCC1)C(=O)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The InChIKey is HYXFOKCLCUUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15(22-19(25)13-16-7-3-2-4-8-16)20(26)23-17-10-12-24(14-17)18-9-5-6-11-21-18/h5-6,9,11,15-17H,2-4,7-8,10,12-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 136517453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).