5-(1-pyridin-3-ylethylamino)pentanamide

C12H19N3O — CID 103529775

IUPAC5-(1-pyridin-3-ylethylamino)pentanamide
SMILESCC(NCCCCC(N)=O)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-10(11-5-4-7-14-9-11)15-8-3-2-6-12(13)16/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H2,13,16)
InChIKeyHCVUWPQAFBQXRG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.39
Rot. Bonds7

About 5-(1-pyridin-3-ylethylamino)pentanamide

5-(1-pyridin-3-ylethylamino)pentanamide (PubChem CID 103529775) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(1-pyridin-3-ylethylamino)pentanamide.

Molecular Properties

Compound Name5-(1-pyridin-3-ylethylamino)pentanamide
PubChem CID103529775
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(1-pyridin-3-ylethylamino)pentanamide
SMILESCC(NCCCCC(N)=O)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-10(11-5-4-7-14-9-11)15-8-3-2-6-12(13)16/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H2,13,16)
InChIKeyHCVUWPQAFBQXRG-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyridin-3-ylethylamino)pentanamide?
The IUPAC name of 5-(1-pyridin-3-ylethylamino)pentanamide (CID 103529775) is 5-(1-pyridin-3-ylethylamino)pentanamide.
What is the SMILES notation for 5-(1-pyridin-3-ylethylamino)pentanamide?
The canonical SMILES for 5-(1-pyridin-3-ylethylamino)pentanamide is CC(NCCCCC(N)=O)c1cccnc1.
What is the InChIKey of 5-(1-pyridin-3-ylethylamino)pentanamide?
The InChIKey is HCVUWPQAFBQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(11-5-4-7-14-9-11)15-8-3-2-6-12(13)16/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H2,13,16).
What are the key properties of 5-(1-pyridin-3-ylethylamino)pentanamide?
5-(1-pyridin-3-ylethylamino)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyridin-3-ylethylamino)pentanamide is sourced from PubChem (CID 103529775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).