(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide

C21H21N3O2 — CID 95318709

IUPAC(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C21H21N3O2/c25-20(13-12-17-9-5-6-14-22-17)23-18-10-3-4-11-19(18)24-21(26)15-16-7-1-2-8-16/h1,3-7,9-14,16H,2,8,15H2,(H,23,25)(H,24,26)/b13-12+/t16-/m1/s1
InChIKeyNYEWQQRXBXWDSS-CJTWTEFWSA-N
MW347.42 g/mol
LogP4.03
Rot. Bonds6

About (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide

(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 95318709) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID95318709
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C21H21N3O2/c25-20(13-12-17-9-5-6-14-22-17)23-18-10-3-4-11-19(18)24-21(26)15-16-7-1-2-8-16/h1,3-7,9-14,16H,2,8,15H2,(H,23,25)(H,24,26)/b13-12+/t16-/m1/s1
InChIKeyNYEWQQRXBXWDSS-CJTWTEFWSA-N
XLogP4.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]hexa-2,4-dienamide
CID 72688727
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3-(4-fluorophenyl)but-2-enamide
CID 72688706
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
CID 86901395
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 78807815
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 30900728

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide (CID 95318709) is (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1.
What is the InChIKey of (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is NYEWQQRXBXWDSS-CJTWTEFWSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(13-12-17-9-5-6-14-22-17)23-18-10-3-4-11-19(18)24-21(26)15-16-7-1-2-8-16/h1,3-7,9-14,16H,2,8,15H2,(H,23,25)(H,24,26)/b13-12+/t16-/m1/s1.
What are the key properties of (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 347.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 95318709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).