5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide

C14H20N4O — CID 55152684

IUPAC5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ccc(C#CCN)cn1)N(C)C
InChIInChI=1S/C14H20N4O/c1-11(18(2)3)9-17-14(19)13-7-6-12(10-16-13)5-4-8-15/h6-7,10-11H,8-9,15H2,1-3H3,(H,17,19)
InChIKeyBBODATDFKQLQTI-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.07
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 55152684) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID55152684
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ccc(C#CCN)cn1)N(C)C
InChIInChI=1S/C14H20N4O/c1-11(18(2)3)9-17-14(19)13-7-6-12(10-16-13)5-4-8-15/h6-7,10-11H,8-9,15H2,1-3H3,(H,17,19)
InChIKeyBBODATDFKQLQTI-UHFFFAOYSA-N
XLogP0.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
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-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 62954188
5-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2-carboxamide
CID 62959219
5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
CID 62952482
5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63228590
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62958692
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 55152497
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
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
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide (CID 55152684) is 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide is CC(CNC(=O)c1ccc(C#CCN)cn1)N(C)C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is BBODATDFKQLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(18(2)3)9-17-14(19)13-7-6-12(10-16-13)5-4-8-15/h6-7,10-11H,8-9,15H2,1-3H3,(H,17,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 55152684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).