methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

C21H19N3O3 — CID 50844253

IUPACmethyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
SMILESCOC(=O)c1c2c(nc3c(C)cccc13)CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C21H19N3O3/c1-13-6-5-7-14-18(21(26)27-2)15-12-24(11-9-16(15)23-19(13)14)20(25)17-8-3-4-10-22-17/h3-8,10H,9,11-12H2,1-2H3
InChIKeyGVTXYTUFNWUMRW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.92
Rot. Bonds2

About methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate (PubChem CID 50844253) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
PubChem CID50844253
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
SMILESCOC(=O)c1c2c(nc3c(C)cccc13)CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C21H19N3O3/c1-13-6-5-7-14-18(21(26)27-2)15-12-24(11-9-16(15)23-19(13)14)20(25)17-8-3-4-10-22-17/h3-8,10H,9,11-12H2,1-2H3
InChIKeyGVTXYTUFNWUMRW-UHFFFAOYSA-N
XLogP2.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
The IUPAC name of methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate (CID 50844253) is methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
The canonical SMILES for methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate is COC(=O)c1c2c(nc3c(C)cccc13)CCN(C(=O)c1ccccn1)C2.
What is the InChIKey of methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
The InChIKey is GVTXYTUFNWUMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-6-5-7-14-18(21(26)27-2)15-12-24(11-9-16(15)23-19(13)14)20(25)17-8-3-4-10-22-17/h3-8,10H,9,11-12H2,1-2H3.
What are the key properties of methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate?
methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-(pyridine-2-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate is sourced from PubChem (CID 50844253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).