[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate

C35H30N6O6 — CID 169248834

IUPAC[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(Cc3cncc(COC(=O)c4cc5c(=O)n(Cc6cccnc6)ccc5nc4C)c3)ccc2nc1C
InChIInChI=1S/C35H30N6O6/c1-4-46-34(44)26-13-28-31(38-21(26)2)8-11-41(33(28)43)19-24-12-25(17-37-16-24)20-47-35(45)27-14-29-30(39-22(27)3)7-10-40(32(29)42)18-23-6-5-9-36-15-23/h5-17H,4,18-20H2,1-3H3
InChIKeyQVJUEJYXAYCKOD-UHFFFAOYSA-N
MW630.66 g/mol
LogP4.14
Rot. Bonds9

About [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate

[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate (PubChem CID 169248834) has the molecular formula C35H30N6O6 and a molecular weight of 630.66 g/mol. Its IUPAC name is [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
PubChem CID169248834
Molecular FormulaC35H30N6O6
Molecular Weight630.66 g/mol
Exact Mass630.22
IUPAC Name[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(Cc3cncc(COC(=O)c4cc5c(=O)n(Cc6cccnc6)ccc5nc4C)c3)ccc2nc1C
InChIInChI=1S/C35H30N6O6/c1-4-46-34(44)26-13-28-31(38-21(26)2)8-11-41(33(28)43)19-24-12-25(17-37-16-24)20-47-35(45)27-14-29-30(39-22(27)3)7-10-40(32(29)42)18-23-6-5-9-36-15-23/h5-17H,4,18-20H2,1-3H3
InChIKeyQVJUEJYXAYCKOD-UHFFFAOYSA-N
XLogP4.14
TPSA148.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 169248811
2-methyl-3-(4-methylpiperidine-1-carbonyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-one
CID 20946776
N-[3-(furan-2-yl)propyl]-2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 20946798
2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 169248748
ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 639609
ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 14666330
ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate
CID 14867812
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947019

Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate?
The IUPAC name of [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate (CID 169248834) is [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)n(Cc3cncc(COC(=O)c4cc5c(=O)n(Cc6cccnc6)ccc5nc4C)c3)ccc2nc1C.
What is the InChIKey of [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate?
The InChIKey is QVJUEJYXAYCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N6O6/c1-4-46-34(44)26-13-28-31(38-21(26)2)8-11-41(33(28)43)19-24-12-25(17-37-16-24)20-47-35(45)27-14-29-30(39-22(27)3)7-10-40(32(29)42)18-23-6-5-9-36-15-23/h5-17H,4,18-20H2,1-3H3.
What are the key properties of [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate?
[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate has a molecular weight of 630.66 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 169248834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).