methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate

C20H23N5O5 — CID 66959591

IUPACmethyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H23N5O5/c1-25-11-23-14-10-13(12-5-6-15(28-2)16(9-12)29-3)24-18(17(14)19(25)26)21-7-8-22-20(27)30-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)(H,22,27)
InChIKeyWGRZCNBBNQYHPA-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.78
Rot. Bonds7

About methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate

methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate (PubChem CID 66959591) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate
PubChem CID66959591
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Namemethyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H23N5O5/c1-25-11-23-14-10-13(12-5-6-15(28-2)16(9-12)29-3)24-18(17(14)19(25)26)21-7-8-22-20(27)30-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)(H,22,27)
InChIKeyWGRZCNBBNQYHPA-UHFFFAOYSA-N
XLogP1.78
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate (CID 66959591) is methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate is COC(=O)NCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate?
The InChIKey is WGRZCNBBNQYHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-25-11-23-14-10-13(12-5-6-15(28-2)16(9-12)29-3)24-18(17(14)19(25)26)21-7-8-22-20(27)30-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)(H,22,27).
What are the key properties of methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate?
methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate has a molecular weight of 413.43 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate is sourced from PubChem (CID 66959591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).