2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide

C17H25N3O2 — CID 97241202

IUPAC2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
SMILESO=C(CC1(O)CCCCC1)N[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C17H25N3O2/c21-16(12-17(22)8-3-1-4-9-17)19-14-7-11-20(13-14)15-6-2-5-10-18-15/h2,5-6,10,14,22H,1,3-4,7-9,11-13H2,(H,19,21)/t14-/m1/s1
InChIKeyNIXCTRBCEGYWRN-CQSZACIVSA-N
MW303.41 g/mol
LogP1.86
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide

2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 97241202) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
PubChem CID97241202
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
SMILESO=C(CC1(O)CCCCC1)N[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C17H25N3O2/c21-16(12-17(22)8-3-1-4-9-17)19-14-7-11-20(13-14)15-6-2-5-10-18-15/h2,5-6,10,14,22H,1,3-4,7-9,11-13H2,(H,19,21)/t14-/m1/s1
InChIKeyNIXCTRBCEGYWRN-CQSZACIVSA-N
XLogP1.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
CID 110026123
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
2-indol-1-yl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99697341
2-[(2-cyclohexylacetyl)amino]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 136517453
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide (CID 97241202) is 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide is O=C(CC1(O)CCCCC1)N[C@@H]1CCN(c2ccccn2)C1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is NIXCTRBCEGYWRN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16(12-17(22)8-3-1-4-9-17)19-14-7-11-20(13-14)15-6-2-5-10-18-15/h2,5-6,10,14,22H,1,3-4,7-9,11-13H2,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide?
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97241202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).