N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide

C26H28N4O2 — CID 10993661

IUPACN-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)n([C@@H](C)c4ccccc4)cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C26H28N4O2/c1-17-9-8-12-20-15-21-24(28-23(17)20)22(25(31)27-13-14-29(3)4)16-30(26(21)32)18(2)19-10-6-5-7-11-19/h5-12,15-16,18H,13-14H2,1-4H3,(H,27,31)/t18-/m0/s1
InChIKeyIIWDDOTVDNHXSV-SFHVURJKSA-N
MW428.54 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 10993661) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID10993661
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(=O)n([C@@H](C)c4ccccc4)cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C26H28N4O2/c1-17-9-8-12-20-15-21-24(28-23(17)20)22(25(31)27-13-14-29(3)4)16-30(26(21)32)18(2)19-10-6-5-7-11-19/h5-12,15-16,18H,13-14H2,1-4H3,(H,27,31)/t18-/m0/s1
InChIKeyIIWDDOTVDNHXSV-SFHVURJKSA-N
XLogP3.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-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 N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide (CID 10993661) is N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide is Cc1cccc2cc3c(=O)n([C@@H](C)c4ccccc4)cc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is IIWDDOTVDNHXSV-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17-9-8-12-20-15-21-24(28-23(17)20)22(25(31)27-13-14-29(3)4)16-30(26(21)32)18(2)19-10-6-5-7-11-19/h5-12,15-16,18H,13-14H2,1-4H3,(H,27,31)/t18-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-methyl-1-oxo-2-[(1S)-1-phenylethyl]benzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 10993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).