2,3-dihydropyridine-3,5-dicarboxamide

C7H9N3O2 — CID 90027121

IUPAC2,3-dihydropyridine-3,5-dicarboxamide
SMILESNC(=O)C1=CC(C(N)=O)CN=C1
InChIInChI=1S/C7H9N3O2/c8-6(11)4-1-5(7(9)12)3-10-2-4/h1-2,5H,3H2,(H2,8,11)(H2,9,12)
InChIKeyWXOMAGVOHHRBRB-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.42
Rot. Bonds2

About 2,3-dihydropyridine-3,5-dicarboxamide

2,3-dihydropyridine-3,5-dicarboxamide (PubChem CID 90027121) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2,3-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,3-dihydropyridine-3,5-dicarboxamide
PubChem CID90027121
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2,3-dihydropyridine-3,5-dicarboxamide
SMILESNC(=O)C1=CC(C(N)=O)CN=C1
InChIInChI=1S/C7H9N3O2/c8-6(11)4-1-5(7(9)12)3-10-2-4/h1-2,5H,3H2,(H2,8,11)(H2,9,12)
InChIKeyWXOMAGVOHHRBRB-UHFFFAOYSA-N
XLogP-1.42
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,3-dihydropyridine-3,5-dicarboxamide (CID 90027121) is 2,3-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,3-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,3-dihydropyridine-3,5-dicarboxamide is NC(=O)C1=CC(C(N)=O)CN=C1.
What is the InChIKey of 2,3-dihydropyridine-3,5-dicarboxamide?
The InChIKey is WXOMAGVOHHRBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-6(11)4-1-5(7(9)12)3-10-2-4/h1-2,5H,3H2,(H2,8,11)(H2,9,12).
What are the key properties of 2,3-dihydropyridine-3,5-dicarboxamide?
2,3-dihydropyridine-3,5-dicarboxamide has a molecular weight of 167.17 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 90027121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).