5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide

C15H20N4O2 — CID 62952482

IUPAC5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C15H20N4O2/c1-3-9-17-14(20)11(2)19-15(21)13-7-6-12(10-18-13)5-4-8-16/h6-7,10-11H,3,8-9,16H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyZPNURSRLENPFKZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.04
Rot. Bonds5

About 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide (PubChem CID 62952482) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
PubChem CID62952482
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C15H20N4O2/c1-3-9-17-14(20)11(2)19-15(21)13-7-6-12(10-18-13)5-4-8-16/h6-7,10-11H,3,8-9,16H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyZPNURSRLENPFKZ-UHFFFAOYSA-N
XLogP0.04
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 62954188
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
CID 62952662
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342164
3-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-2-carboxamide
CID 63799865
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-pentyl-N-propan-2-ylpyridine-2-carboxamide
CID 62954876
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide (CID 62952482) is 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide is CCCNC(=O)C(C)NC(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is ZPNURSRLENPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-9-17-14(20)11(2)19-15(21)13-7-6-12(10-18-13)5-4-8-16/h6-7,10-11H,3,8-9,16H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 62952482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).