5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

C10H12IN2O- — CID 163523317

IUPAC5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC[I-]c1ccnc2c1CCC(=O)N2
InChIInChI=1S/C10H12IN2O/c1-2-11-8-5-6-12-10-7(8)3-4-9(14)13-10/h5-6H,2-4H2,1H3,(H,12,13,14)/q-1
InChIKeyODLLOOGEAJMBMR-UHFFFAOYSA-N
MW303.12 g/mol
LogP-1.76
Rot. Bonds2

About 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163523317) has the molecular formula C10H12IN2O- and a molecular weight of 303.12 g/mol. Its IUPAC name is 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163523317
Molecular FormulaC10H12IN2O-
Molecular Weight303.12 g/mol
Exact Mass303.00
IUPAC Name5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC[I-]c1ccnc2c1CCC(=O)N2
InChIInChI=1S/C10H12IN2O/c1-2-11-8-5-6-12-10-7(8)3-4-9(14)13-10/h5-6H,2-4H2,1H3,(H,12,13,14)/q-1
InChIKeyODLLOOGEAJMBMR-UHFFFAOYSA-N
XLogP-1.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-yl)benzamide
CID 219990
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
5H-Benzo(c)(1,8)naphthyridin-6-one
CID 12342815
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
N-(3-Methyl-2-pyridinyl)benzamide
CID 90211
2-Methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 3363325
1,2,3,4-Tetrahydro-1,8-naphthyridine
CID 13047367
4-phenyl-N-(2-pyridinyl)butanamide
CID 836507
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086

Frequently Asked Questions

What is the IUPAC name of 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163523317) is 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC[I-]c1ccnc2c1CCC(=O)N2.
What is the InChIKey of 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is ODLLOOGEAJMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN2O/c1-2-11-8-5-6-12-10-7(8)3-4-9(14)13-10/h5-6H,2-4H2,1H3,(H,12,13,14)/q-1.
What are the key properties of 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 303.12 g/mol, XLogP of -1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163523317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).