2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide

C17H21N5O2 — CID 12925145

IUPAC2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide
SMILESO=C(NN1CC=CCC1)c1cccc(C(=O)NN2CC=CCC2)n1
InChIInChI=1S/C17H21N5O2/c23-16(19-21-10-3-1-4-11-21)14-8-7-9-15(18-14)17(24)20-22-12-5-2-6-13-22/h1-3,5,7-9H,4,6,10-13H2,(H,19,23)(H,20,24)
InChIKeyWHXLDHLHUGLMLC-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.89
Rot. Bonds4

About 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide (PubChem CID 12925145) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide
PubChem CID12925145
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide
SMILESO=C(NN1CC=CCC1)c1cccc(C(=O)NN2CC=CCC2)n1
InChIInChI=1S/C17H21N5O2/c23-16(19-21-10-3-1-4-11-21)14-8-7-9-15(18-14)17(24)20-22-12-5-2-6-13-22/h1-3,5,7-9H,4,6,10-13H2,(H,19,23)(H,20,24)
InChIKeyWHXLDHLHUGLMLC-UHFFFAOYSA-N
XLogP0.89
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide (CID 12925145) is 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide is O=C(NN1CC=CCC1)c1cccc(C(=O)NN2CC=CCC2)n1.
What is the InChIKey of 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide?
The InChIKey is WHXLDHLHUGLMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(19-21-10-3-1-4-11-21)14-8-7-9-15(18-14)17(24)20-22-12-5-2-6-13-22/h1-3,5,7-9H,4,6,10-13H2,(H,19,23)(H,20,24).
What are the key properties of 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(3,6-dihydro-2H-pyridin-1-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 12925145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).