N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide

C17H18N4O — CID 10040097

IUPACN-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cccnc3nc12
InChIInChI=1S/C17H18N4O/c1-21(2)10-9-19-17(22)14-7-3-5-12-11-13-6-4-8-18-16(13)20-15(12)14/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyBPMZJXGYVCQIIW-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide

N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide (PubChem CID 10040097) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide
PubChem CID10040097
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cccnc3nc12
InChIInChI=1S/C17H18N4O/c1-21(2)10-9-19-17(22)14-7-3-5-12-11-13-6-4-8-18-16(13)20-15(12)14/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyBPMZJXGYVCQIIW-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide (CID 10040097) is N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide is CN(C)CCNC(=O)c1cccc2cc3cccnc3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide?
The InChIKey is BPMZJXGYVCQIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21(2)10-9-19-17(22)14-7-3-5-12-11-13-6-4-8-18-16(13)20-15(12)14/h3-8,11H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide?
N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]benzo[b][1,8]naphthyridine-9-carboxamide is sourced from PubChem (CID 10040097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).