2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide

C16H18N2O3 — CID 122151720

IUPAC2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide
SMILESC#CC(C)NC(=O)C1=CC(C)C=C(C(=O)NC(C)C#C)O1
InChIInChI=1S/C16H18N2O3/c1-6-11(4)17-15(19)13-8-10(3)9-14(21-13)16(20)18-12(5)7-2/h1-2,8-12H,3-5H3,(H,17,19)(H,18,20)
InChIKeyLVDTYOJYDWVEGF-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.70
Rot. Bonds4

About 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide

2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide (PubChem CID 122151720) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide
PubChem CID122151720
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide
SMILESC#CC(C)NC(=O)C1=CC(C)C=C(C(=O)NC(C)C#C)O1
InChIInChI=1S/C16H18N2O3/c1-6-11(4)17-15(19)13-8-10(3)9-14(21-13)16(20)18-12(5)7-2/h1-2,8-12H,3-5H3,(H,17,19)(H,18,20)
InChIKeyLVDTYOJYDWVEGF-UHFFFAOYSA-N
XLogP0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide (CID 122151720) is 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide is C#CC(C)NC(=O)C1=CC(C)C=C(C(=O)NC(C)C#C)O1.
What is the InChIKey of 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide?
The InChIKey is LVDTYOJYDWVEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-6-11(4)17-15(19)13-8-10(3)9-14(21-13)16(20)18-12(5)7-2/h1-2,8-12H,3-5H3,(H,17,19)(H,18,20).
What are the key properties of 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide?
2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(but-3-yn-2-yl)-4-methyl-4H-pyran-2,6-dicarboxamide is sourced from PubChem (CID 122151720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).