N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide

C17H17N5O3 — CID 10449852

IUPACN-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cc3ncccc3nc12
InChIInChI=1S/C17H17N5O3/c1-21(2)9-8-19-17(23)11-5-6-15(22(24)25)12-10-14-13(20-16(11)12)4-3-7-18-14/h3-7,10H,8-9H2,1-2H3,(H,19,23)
InChIKeyFKAXBSJIUVGLCM-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide

N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide (PubChem CID 10449852) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide
PubChem CID10449852
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cc3ncccc3nc12
InChIInChI=1S/C17H17N5O3/c1-21(2)9-8-19-17(23)11-5-6-15(22(24)25)12-10-14-13(20-16(11)12)4-3-7-18-14/h3-7,10H,8-9H2,1-2H3,(H,19,23)
InChIKeyFKAXBSJIUVGLCM-UHFFFAOYSA-N
XLogP1.98
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide (CID 10449852) is N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide is CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cc3ncccc3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide?
The InChIKey is FKAXBSJIUVGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-21(2)9-8-19-17(23)11-5-6-15(22(24)25)12-10-14-13(20-16(11)12)4-3-7-18-14/h3-7,10H,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide?
N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9-nitrobenzo[b][1,5]naphthyridine-6-carboxamide is sourced from PubChem (CID 10449852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).