N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide

C16H21N3O2 — CID 63951171

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide
SMILESNCC#Cc1cccc(NC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C16H21N3O2/c17-11-4-6-13-5-3-8-15(18-13)19-16(20)10-9-14-7-1-2-12-21-14/h3,5,8,14H,1-2,7,9-12,17H2,(H,18,19,20)
InChIKeyATRFTIFJJYPZLL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.68
Rot. Bonds4

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide (PubChem CID 63951171) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide
PubChem CID63951171
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide
SMILESNCC#Cc1cccc(NC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C16H21N3O2/c17-11-4-6-13-5-3-8-15(18-13)19-16(20)10-9-14-7-1-2-12-21-14/h3,5,8,14H,1-2,7,9-12,17H2,(H,18,19,20)
InChIKeyATRFTIFJJYPZLL-UHFFFAOYSA-N
XLogP1.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-(oxolan-2-yl)propanamide
CID 65160457
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide
CID 104819846
N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide
CID 113391812
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 60812906
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002399
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
CID 106000492
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
CID 60814077
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-cyanobenzamide
CID 60814076

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide (CID 63951171) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide is NCC#Cc1cccc(NC(=O)CCC2CCCCO2)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide?
The InChIKey is ATRFTIFJJYPZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-11-4-6-13-5-3-8-15(18-13)19-16(20)10-9-14-7-1-2-12-21-14/h3,5,8,14H,1-2,7,9-12,17H2,(H,18,19,20).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63951171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).