5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide

C16H25N3O — CID 104684218

IUPAC5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCC(CCCN)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(6-5-9-17)16(20)18-14-7-4-8-15(12-14)19-10-2-3-11-19/h4,7-8,12-13H,2-3,5-6,9-11,17H2,1H3,(H,18,20)
InChIKeyLECYPWXANBOPSI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds6

About 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide

5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 104684218) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID104684218
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCC(CCCN)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(6-5-9-17)16(20)18-14-7-4-8-15(12-14)19-10-2-3-11-19/h4,7-8,12-13H,2-3,5-6,9-11,17H2,1H3,(H,18,20)
InChIKeyLECYPWXANBOPSI-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
5-amino-2-methyl-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 104683774
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 51495526
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide (CID 104684218) is 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide is CC(CCCN)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is LECYPWXANBOPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(6-5-9-17)16(20)18-14-7-4-8-15(12-14)19-10-2-3-11-19/h4,7-8,12-13H,2-3,5-6,9-11,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 275.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 104684218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).