3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide

C16H22N4O — CID 83016440

IUPAC3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccncc1C#CCN
InChIInChI=1S/C16H22N4O/c1-12-5-3-6-13(2)20(12)19-16(21)15-8-10-18-11-14(15)7-4-9-17/h8,10-13H,3,5-6,9,17H2,1-2H3,(H,19,21)
InChIKeyLPUDSZRPDXDMSV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.30
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 83016440) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID83016440
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccncc1C#CCN
InChIInChI=1S/C16H22N4O/c1-12-5-3-6-13(2)20(12)19-16(21)15-8-10-18-11-14(15)7-4-9-17/h8,10-13H,3,5-6,9,17H2,1-2H3,(H,19,21)
InChIKeyLPUDSZRPDXDMSV-UHFFFAOYSA-N
XLogP1.30
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide (CID 83016440) is 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide is CC1CCCC(C)N1NC(=O)c1ccncc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is LPUDSZRPDXDMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-3-6-13(2)20(12)19-16(21)15-8-10-18-11-14(15)7-4-9-17/h8,10-13H,3,5-6,9,17H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 83016440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).