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

C22H23N3O3 — CID 71082852

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCc3ccccc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C22H23N3O3/c1-3-17-12-20(15(2)25-21(17)26)18-11-19(14-23-13-18)28-22(27)24-10-9-16-7-5-4-6-8-16/h4-8,11-14H,3,9-10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYJQKSARCQKHYBP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.64
Rot. Bonds6

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

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate (PubChem CID 71082852) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate
PubChem CID71082852
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCc3ccccc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C22H23N3O3/c1-3-17-12-20(15(2)25-21(17)26)18-11-19(14-23-13-18)28-22(27)24-10-9-16-7-5-4-6-8-16/h4-8,11-14H,3,9-10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYJQKSARCQKHYBP-UHFFFAOYSA-N
XLogP3.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-phenylethyl)carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate (CID 71082852) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate is CCc1cc(-c2cncc(OC(=O)NCCc3ccccc3)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-phenylethyl)carbamate?
The InChIKey is YJQKSARCQKHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-17-12-20(15(2)25-21(17)26)18-11-19(14-23-13-18)28-22(27)24-10-9-16-7-5-4-6-8-16/h4-8,11-14H,3,9-10H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-phenylethyl)carbamate has a molecular weight of 377.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenylethyl)carbamate is sourced from PubChem (CID 71082852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).