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

C20H20N4O3 — CID 71082883

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCc3cccnc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C20H20N4O3/c1-3-15-8-18(13(2)24-19(15)25)16-7-17(12-22-11-16)27-20(26)23-10-14-5-4-6-21-9-14/h4-9,11-12H,3,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVTALBJIPMOHPRK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.99
Rot. Bonds5

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

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate (PubChem CID 71082883) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate
PubChem CID71082883
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCc3cccnc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C20H20N4O3/c1-3-15-8-18(13(2)24-19(15)25)16-7-17(12-22-11-16)27-20(26)23-10-14-5-4-6-21-9-14/h4-9,11-12H,3,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVTALBJIPMOHPRK-UHFFFAOYSA-N
XLogP2.99
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.99
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-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate (CID 71082883) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate is CCc1cc(-c2cncc(OC(=O)NCc3cccnc3)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-(pyridin-3-ylmethyl)carbamate?
The InChIKey is VTALBJIPMOHPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-15-8-18(13(2)24-19(15)25)16-7-17(12-22-11-16)27-20(26)23-10-14-5-4-6-21-9-14/h4-9,11-12H,3,10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 364.41 g/mol, XLogP of 2.99, 5 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-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 71082883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).