4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide

C16H21N3O — CID 79211271

IUPAC4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C16H21N3O/c17-13-7-6-12(10-13)16(20)18-14-4-3-5-15(11-14)19-8-1-2-9-19/h3-7,11-13H,1-2,8-10,17H2,(H,18,20)
InChIKeyQGMLKJXNPQMADN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.13
Rot. Bonds3

About 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211271) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211271
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C16H21N3O/c17-13-7-6-12(10-13)16(20)18-14-4-3-5-15(11-14)19-8-1-2-9-19/h3-7,11-13H,1-2,8-10,17H2,(H,18,20)
InChIKeyQGMLKJXNPQMADN-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79209500
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209042
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide (CID 79211271) is 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2cccc(N3CCCC3)c2)C1.
What is the InChIKey of 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is QGMLKJXNPQMADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-7-6-12(10-13)16(20)18-14-4-3-5-15(11-14)19-8-1-2-9-19/h3-7,11-13H,1-2,8-10,17H2,(H,18,20).
What are the key properties of 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).