3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide

C17H17N3O — CID 66483662

IUPAC3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1C#CCN)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(14-6-3-2-4-7-14)20-17(21)16-9-11-19-12-15(16)8-5-10-18/h2-4,6-7,9,11-13H,10,18H2,1H3,(H,20,21)
InChIKeyDLXRKGAYWJUJJI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.88
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 66483662) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID66483662
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1C#CCN)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(14-6-3-2-4-7-14)20-17(21)16-9-11-19-12-15(16)8-5-10-18/h2-4,6-7,9,11-13H,10,18H2,1H3,(H,20,21)
InChIKeyDLXRKGAYWJUJJI-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-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide
CID 106346966
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
4-(methylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 81236792
3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 63799852
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66484078
3-(3-aminoprop-1-ynyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 66484263
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
2-[[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]amino]ethyl carbamate
CID 83203212
2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217837

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide (CID 66483662) is 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccncc1C#CCN)c1ccccc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is DLXRKGAYWJUJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13(14-6-3-2-4-7-14)20-17(21)16-9-11-19-12-15(16)8-5-10-18/h2-4,6-7,9,11-13H,10,18H2,1H3,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide 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 3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).