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

C21H27N3O4 — CID 71082823

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCC3CCOCC3)c2)c(C)[nH]c1=O
InChIInChI=1S/C21H27N3O4/c1-3-16-11-19(14(2)24-20(16)25)17-10-18(13-22-12-17)28-21(26)23-7-4-15-5-8-27-9-6-15/h10-13,15H,3-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZNPHTEHPPSSZFE-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.21
Rot. Bonds6

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

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate (PubChem CID 71082823) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate
PubChem CID71082823
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCC3CCOCC3)c2)c(C)[nH]c1=O
InChIInChI=1S/C21H27N3O4/c1-3-16-11-19(14(2)24-20(16)25)17-10-18(13-22-12-17)28-21(26)23-7-4-15-5-8-27-9-6-15/h10-13,15H,3-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZNPHTEHPPSSZFE-UHFFFAOYSA-N
XLogP3.21
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.21
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-(oxan-4-yl)ethyl]carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate (CID 71082823) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate is CCc1cc(-c2cncc(OC(=O)NCCC3CCOCC3)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-(oxan-4-yl)ethyl]carbamate?
The InChIKey is ZNPHTEHPPSSZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-16-11-19(14(2)24-20(16)25)17-10-18(13-22-12-17)28-21(26)23-7-4-15-5-8-27-9-6-15/h10-13,15H,3-9H2,1-2H3,(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-[2-(oxan-4-yl)ethyl]carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(oxan-4-yl)ethyl]carbamate has a molecular weight of 385.46 g/mol, XLogP of 3.21, 6 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-(oxan-4-yl)ethyl]carbamate is sourced from PubChem (CID 71082823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).