3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide

C16H19N3O — CID 66010193

IUPAC3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C16H19N3O/c17-13-7-6-12(10-13)16(20)18-14-4-3-5-15(11-14)19-8-1-2-9-19/h1-5,8-9,11-13H,6-7,10,17H2,(H,18,20)
InChIKeyJHTZFDGVLQXPDN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.54
Rot. Bonds3

About 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide

3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide (PubChem CID 66010193) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
PubChem CID66010193
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C16H19N3O/c17-13-7-6-12(10-13)16(20)18-14-4-3-5-15(11-14)19-8-1-2-9-19/h1-5,8-9,11-13H,6-7,10,17H2,(H,18,20)
InChIKeyJHTZFDGVLQXPDN-UHFFFAOYSA-N
XLogP2.54
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
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N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
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CID 47215374
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
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3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
3-amino-N-(3-thiophen-2-ylphenyl)cyclopentane-1-carboxamide
CID 119708564
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809541

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide (CID 66010193) is 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(-n3cccc3)c2)C1.
What is the InChIKey of 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide?
The InChIKey is JHTZFDGVLQXPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-13-7-6-12(10-13)16(20)18-14-4-3-5-15(11-14)19-8-1-2-9-19/h1-5,8-9,11-13H,6-7,10,17H2,(H,18,20).
What are the key properties of 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66010193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).