[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate

C23H25N3O4 — CID 71082900

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCc3ccc(OC)cc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C23H25N3O4/c1-4-17-12-21(15(2)26-22(17)27)18-11-20(14-24-13-18)30-23(28)25-10-9-16-5-7-19(29-3)8-6-16/h5-8,11-14H,4,9-10H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyURPTWYZPAZXBJL-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.65
Rot. Bonds7

About [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate (PubChem CID 71082900) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate
PubChem CID71082900
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCc3ccc(OC)cc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C23H25N3O4/c1-4-17-12-21(15(2)26-22(17)27)18-11-20(14-24-13-18)30-23(28)25-10-9-16-5-7-19(29-3)8-6-16/h5-8,11-14H,4,9-10H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyURPTWYZPAZXBJL-UHFFFAOYSA-N
XLogP3.65
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate (CID 71082900) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate is CCc1cc(-c2cncc(OC(=O)NCCc3ccc(OC)cc3)c2)c(C)[nH]c1=O.
What is the InChIKey of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
The InChIKey is URPTWYZPAZXBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-17-12-21(15(2)26-22(17)27)18-11-20(14-24-13-18)30-23(28)25-10-9-16-5-7-19(29-3)8-6-16/h5-8,11-14H,4,9-10H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 71082900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).