6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C24H29N5O3 — CID 134588178

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCON(C)C(=O)c1cn(CCN(C)C)c2ncc(NC3Cc4ccccc4C3)cc2c1=O
InChIInChI=1S/C24H29N5O3/c1-27(2)9-10-29-15-21(24(31)28(3)32-4)22(30)20-13-19(14-25-23(20)29)26-18-11-16-7-5-6-8-17(16)12-18/h5-8,13-15,18,26H,9-12H2,1-4H3
InChIKeyOARFMULQPXCKHQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.17
Rot. Bonds7

About 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 134588178) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID134588178
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCON(C)C(=O)c1cn(CCN(C)C)c2ncc(NC3Cc4ccccc4C3)cc2c1=O
InChIInChI=1S/C24H29N5O3/c1-27(2)9-10-29-15-21(24(31)28(3)32-4)22(30)20-13-19(14-25-23(20)29)26-18-11-16-7-5-6-8-17(16)12-18/h5-8,13-15,18,26H,9-12H2,1-4H3
InChIKeyOARFMULQPXCKHQ-UHFFFAOYSA-N
XLogP2.17
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 134588178) is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CON(C)C(=O)c1cn(CCN(C)C)c2ncc(NC3Cc4ccccc4C3)cc2c1=O.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OARFMULQPXCKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-27(2)9-10-29-15-21(24(31)28(3)32-4)22(30)20-13-19(14-25-23(20)29)26-18-11-16-7-5-6-8-17(16)12-18/h5-8,13-15,18,26H,9-12H2,1-4H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-[2-(dimethylamino)ethyl]-N-methoxy-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134588178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).