8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide

C10H8IN3O — CID 118669701

IUPAC8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2cncc(I)c2n1
InChIInChI=1S/C10H8IN3O/c1-12-10(15)8-3-2-6-4-13-5-7(11)9(6)14-8/h2-5H,1H3,(H,12,15)
InChIKeyWVAGQRZIEHLLDD-UHFFFAOYSA-N
MW313.10 g/mol
LogP1.59
Rot. Bonds1

About 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide

8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide (PubChem CID 118669701) has the molecular formula C10H8IN3O and a molecular weight of 313.10 g/mol. Its IUPAC name is 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide
PubChem CID118669701
Molecular FormulaC10H8IN3O
Molecular Weight313.10 g/mol
Exact Mass312.97
IUPAC Name8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2cncc(I)c2n1
InChIInChI=1S/C10H8IN3O/c1-12-10(15)8-3-2-6-4-13-5-7(11)9(6)14-8/h2-5H,1H3,(H,12,15)
InChIKeyWVAGQRZIEHLLDD-UHFFFAOYSA-N
XLogP1.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide (CID 118669701) is 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide is CNC(=O)c1ccc2cncc(I)c2n1.
What is the InChIKey of 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide?
The InChIKey is WVAGQRZIEHLLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O/c1-12-10(15)8-3-2-6-4-13-5-7(11)9(6)14-8/h2-5H,1H3,(H,12,15).
What are the key properties of 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide?
8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide has a molecular weight of 313.10 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 118669701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).