5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide

C16H21N3O — CID 82852468

IUPAC5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H21N3O/c1-13(17)6-4-9-16(20)18-14-7-5-8-15(12-14)19-10-2-3-11-19/h2-3,5,7-8,10-13H,4,6,9,17H2,1H3,(H,18,20)
InChIKeyMLXDRSYUCDOFPQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds6

About 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide

5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide (PubChem CID 82852468) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
PubChem CID82852468
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H21N3O/c1-13(17)6-4-9-16(20)18-14-7-5-8-15(12-14)19-10-2-3-11-19/h2-3,5,7-8,10-13H,4,6,9,17H2,1H3,(H,18,20)
InChIKeyMLXDRSYUCDOFPQ-UHFFFAOYSA-N
XLogP2.93
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
CID 61248263
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 82851014
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
CID 81071300
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide
CID 95287186
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide?
The IUPAC name of 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide (CID 82852468) is 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide?
The canonical SMILES for 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide is CC(N)CCCC(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide?
The InChIKey is MLXDRSYUCDOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(17)6-4-9-16(20)18-14-7-5-8-15(12-14)19-10-2-3-11-19/h2-3,5,7-8,10-13H,4,6,9,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide?
5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide has a molecular weight of 271.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide is sourced from PubChem (CID 82852468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).