4-aminocinnoline-3-carboxamide

C9H8N4O — CID 2814562

IUPAC4-aminocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
InChIKeyFCYPWSQPDXUBPV-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.31
Rot. Bonds1

About 4-aminocinnoline-3-carboxamide

4-aminocinnoline-3-carboxamide (PubChem CID 2814562) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-aminocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-aminocinnoline-3-carboxamide
PubChem CID2814562
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-aminocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
InChIKeyFCYPWSQPDXUBPV-UHFFFAOYSA-N
XLogP0.31
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminocinnoline-3-carboxamide?
The IUPAC name of 4-aminocinnoline-3-carboxamide (CID 2814562) is 4-aminocinnoline-3-carboxamide.
What is the SMILES notation for 4-aminocinnoline-3-carboxamide?
The canonical SMILES for 4-aminocinnoline-3-carboxamide is NC(=O)c1nnc2ccccc2c1N.
What is the InChIKey of 4-aminocinnoline-3-carboxamide?
The InChIKey is FCYPWSQPDXUBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14).
What are the key properties of 4-aminocinnoline-3-carboxamide?
4-aminocinnoline-3-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocinnoline-3-carboxamide is sourced from PubChem (CID 2814562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).