2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

C16H22N2O2 — CID 94179025

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)20-16-14(8-5-9-17-16)11-18-15(19)10-13-6-3-4-7-13/h3,5-6,8-9,12-13H,4,7,10-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyLBOINVSJLVYBJM-ZDUSSCGKSA-N
MW274.36 g/mol
LogP2.84
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (PubChem CID 94179025) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
PubChem CID94179025
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)20-16-14(8-5-9-17-16)11-18-15(19)10-13-6-3-4-7-13/h3,5-6,8-9,12-13H,4,7,10-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyLBOINVSJLVYBJM-ZDUSSCGKSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 75380874
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
2-(3-methylazetidin-3-yl)oxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 102656075
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 122162421
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55746318

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (CID 94179025) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is CC(C)Oc1ncccc1CNC(=O)C[C@H]1C=CCC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is LBOINVSJLVYBJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)20-16-14(8-5-9-17-16)11-18-15(19)10-13-6-3-4-7-13/h3,5-6,8-9,12-13H,4,7,10-11H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 94179025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).