6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one

C19H18IN3O — CID 134588162

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one
SMILESCCn1cc(I)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C19H18IN3O/c1-2-23-11-17(20)18(24)16-9-15(10-21-19(16)23)22-14-7-12-5-3-4-6-13(12)8-14/h3-6,9-11,14,22H,2,7-8H2,1H3
InChIKeyJEYJSZDZOUUAAG-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.60
Rot. Bonds3

About 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one (PubChem CID 134588162) has the molecular formula C19H18IN3O and a molecular weight of 431.28 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one
PubChem CID134588162
Molecular FormulaC19H18IN3O
Molecular Weight431.28 g/mol
Exact Mass431.05
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one
SMILESCCn1cc(I)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C19H18IN3O/c1-2-23-11-17(20)18(24)16-9-15(10-21-19(16)23)22-14-7-12-5-3-4-6-13(12)8-14/h3-6,9-11,14,22H,2,7-8H2,1H3
InChIKeyJEYJSZDZOUUAAG-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

BNC-210
CID 24772165
2-[(E)-3-[6-(cyclopentylamino)-3-pyridinyl]-3-oxoprop-1-enyl]benzonitrile
CID 44251419
N-isopropyl-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 44588591
11-[3-(Dimethylamino)propyl]-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one
CID 118731445
N-[2-(5-fluoro-2-methylphenyl)-4-oxo-1H-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
CID 67974895
2-{1-[4-(pyridin-2-yl)piperazin-1-yl]ethylidene}-1H-indene-1,3(2H)-dione
CID 945763
1-[6-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-3-pyridinyl]ethanone
CID 44433213
2-[(E)-3-[6-(cyclohexylamino)-3-pyridinyl]-3-oxoprop-1-enyl]benzonitrile
CID 46880768
N-(4-Fluorophenyl)-6-(3-{[(2-methylphenyl)methyl]amino}pyrrolidin-1-YL)pyridine-3-carboxamide
CID 53181278
4-[(4-Methylpyridin-2-yl)amino]naphthalene-1,2-dione
CID 272554
6-{3-[(2-methylbenzyl)amino]-1-pyrrolidinyl}-N~3~-phenylnicotinamide
CID 49667923
N-(2,3-Dihydro-1H-inden-5-YL)-2-(3-phenylpiperazin-1-YL)pyridine-3-carboxamide
CID 53180631

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one (CID 134588162) is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one is CCn1cc(I)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one?
The InChIKey is JEYJSZDZOUUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O/c1-2-23-11-17(20)18(24)16-9-15(10-21-19(16)23)22-14-7-12-5-3-4-6-13(12)8-14/h3-6,9-11,14,22H,2,7-8H2,1H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one has a molecular weight of 431.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-iodo-1,8-naphthyridin-4-one is sourced from PubChem (CID 134588162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).