2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

C19H17N5O2 — CID 4524554

IUPAC2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C19H17N5O2/c25-18(22-12-14-4-2-8-20-10-14)16-6-1-7-17(24-16)19(26)23-13-15-5-3-9-21-11-15/h1-11H,12-13H2,(H,22,25)(H,23,26)
InChIKeyKZAXYFUOEBANOF-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.73
Rot. Bonds6

About 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 4524554) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID4524554
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C19H17N5O2/c25-18(22-12-14-4-2-8-20-10-14)16-6-1-7-17(24-16)19(26)23-13-15-5-3-9-21-11-15/h1-11H,12-13H2,(H,22,25)(H,23,26)
InChIKeyKZAXYFUOEBANOF-UHFFFAOYSA-N
XLogP1.73
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (CID 4524554) is 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is O=C(NCc1cccnc1)c1cccc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is KZAXYFUOEBANOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-18(22-12-14-4-2-8-20-10-14)16-6-1-7-17(24-16)19(26)23-13-15-5-3-9-21-11-15/h1-11H,12-13H2,(H,22,25)(H,23,26).
What are the key properties of 2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.73, 6 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(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4524554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).