methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate

C19H19N3O5 — CID 166259990

IUPACmethyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CC(=O)N2CCc3ccc(C(=O)OC)nc3C2)cn1
InChIInChI=1S/C19H19N3O5/c1-26-18(24)14-5-3-12(10-20-14)9-17(23)22-8-7-13-4-6-15(19(25)27-2)21-16(13)11-22/h3-6,10H,7-9,11H2,1-2H3
InChIKeyQNPKPIQLXCNKRQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.18
Rot. Bonds4

About methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate

methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate (PubChem CID 166259990) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
PubChem CID166259990
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CC(=O)N2CCc3ccc(C(=O)OC)nc3C2)cn1
InChIInChI=1S/C19H19N3O5/c1-26-18(24)14-5-3-12(10-20-14)9-17(23)22-8-7-13-4-6-15(19(25)27-2)21-16(13)11-22/h3-6,10H,7-9,11H2,1-2H3
InChIKeyQNPKPIQLXCNKRQ-UHFFFAOYSA-N
XLogP1.18
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 121249779
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenyl)ethanone
CID 90620879
methyl 7-[2-(4-methylphenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535197
1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-phenylethanone
CID 91917912
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
CID 142388735
2-[2-(4-methoxyphenyl)acetyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644288
methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
CID 135395002
1-(3-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 46965556
2-(4-methoxyphenyl)-1-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)ethanone
CID 110647096
methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
CID 159420112

Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The IUPAC name of methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate (CID 166259990) is methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate is COC(=O)c1ccc(CC(=O)N2CCc3ccc(C(=O)OC)nc3C2)cn1.
What is the InChIKey of methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
The InChIKey is QNPKPIQLXCNKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-18(24)14-5-3-12(10-20-14)9-17(23)22-8-7-13-4-6-15(19(25)27-2)21-16(13)11-22/h3-6,10H,7-9,11H2,1-2H3.
What are the key properties of methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate?
methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 166259990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).