N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

C21H27N5O2 — CID 10872631

IUPACN,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(CCN(C)C)c(=O)c2cc3ccccc3nc12
InChIInChI=1S/C21H27N5O2/c1-24(2)10-9-22-20(27)17-14-26(12-11-25(3)4)21(28)16-13-15-7-5-6-8-18(15)23-19(16)17/h5-8,13-14H,9-12H2,1-4H3,(H,22,27)
InChIKeyWBSZQPBZOYHBKA-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.40
Rot. Bonds7

About N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide

N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 10872631) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID10872631
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cn(CCN(C)C)c(=O)c2cc3ccccc3nc12
InChIInChI=1S/C21H27N5O2/c1-24(2)10-9-22-20(27)17-14-26(12-11-25(3)4)21(28)16-13-15-7-5-6-8-18(15)23-19(16)17/h5-8,13-14H,9-12H2,1-4H3,(H,22,27)
InChIKeyWBSZQPBZOYHBKA-UHFFFAOYSA-N
XLogP1.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide (CID 10872631) is N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is CN(C)CCNC(=O)c1cn(CCN(C)C)c(=O)c2cc3ccccc3nc12.
What is the InChIKey of N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is WBSZQPBZOYHBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-24(2)10-9-22-20(27)17-14-26(12-11-25(3)4)21(28)16-13-15-7-5-6-8-18(15)23-19(16)17/h5-8,13-14H,9-12H2,1-4H3,(H,22,27).
What are the key properties of N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide?
N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[2-(dimethylamino)ethyl]-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 10872631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).