N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide

C17H17N3O — CID 60803080

IUPACN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccccn2)c(C#CCN)c1
InChIInChI=1S/C17H17N3O/c1-13-7-8-16(14(11-13)5-4-9-18)20-17(21)12-15-6-2-3-10-19-15/h2-3,6-8,10-11H,9,12,18H2,1H3,(H,20,21)
InChIKeyFXOVHWGKPFRGBU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.88
Rot. Bonds3

About N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide

N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide (PubChem CID 60803080) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
PubChem CID60803080
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccccn2)c(C#CCN)c1
InChIInChI=1S/C17H17N3O/c1-13-7-8-16(14(11-13)5-4-9-18)20-17(21)12-15-6-2-3-10-19-15/h2-3,6-8,10-11H,9,12,18H2,1H3,(H,20,21)
InChIKeyFXOVHWGKPFRGBU-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60802619
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-2-ylacetamide
CID 81260163
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide
CID 104671857
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2,2-dimethylbutanamide
CID 62677312
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-chlorobenzamide
CID 60812705
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
N-(2,4-dimethylphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389560
N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468233
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-pyridin-2-ylacetamide
CID 107578033
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide (CID 60803080) is N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide is Cc1ccc(NC(=O)Cc2ccccn2)c(C#CCN)c1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
The InChIKey is FXOVHWGKPFRGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-7-8-16(14(11-13)5-4-9-18)20-17(21)12-15-6-2-3-10-19-15/h2-3,6-8,10-11H,9,12,18H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide?
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 60803080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).