2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide

C17H22N4O — CID 82450209

IUPAC2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
SMILESCCc1cccc2c(C(=O)NN)c3c(nc12)CCN(CC)C3
InChIInChI=1S/C17H22N4O/c1-3-11-6-5-7-12-15(17(22)20-18)13-10-21(4-2)9-8-14(13)19-16(11)12/h5-7H,3-4,8-10,18H2,1-2H3,(H,20,22)
InChIKeyYXMKEOYDLOVSAJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.78
Rot. Bonds3

About 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide

2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide (PubChem CID 82450209) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide.

Molecular Properties

Compound Name2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
PubChem CID82450209
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
SMILESCCc1cccc2c(C(=O)NN)c3c(nc12)CCN(CC)C3
InChIInChI=1S/C17H22N4O/c1-3-11-6-5-7-12-15(17(22)20-18)13-10-21(4-2)9-8-14(13)19-16(11)12/h5-7H,3-4,8-10,18H2,1-2H3,(H,20,22)
InChIKeyYXMKEOYDLOVSAJ-UHFFFAOYSA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide?
The IUPAC name of 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide (CID 82450209) is 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide.
What is the SMILES notation for 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide?
The canonical SMILES for 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide is CCc1cccc2c(C(=O)NN)c3c(nc12)CCN(CC)C3.
What is the InChIKey of 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide?
The InChIKey is YXMKEOYDLOVSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-11-6-5-7-12-15(17(22)20-18)13-10-21(4-2)9-8-14(13)19-16(11)12/h5-7H,3-4,8-10,18H2,1-2H3,(H,20,22).
What are the key properties of 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide?
2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide has a molecular weight of 298.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide is sourced from PubChem (CID 82450209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).