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

C18H23N3O3 — CID 71082894

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1cncc(-c2cc(CC)c(=O)[nH]c2C)c1
InChIInChI=1S/C18H23N3O3/c1-4-6-7-20-18(23)24-15-8-14(10-19-11-15)16-9-13(5-2)17(22)21-12(16)3/h8-11H,4-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKNUVXMVDDJQOJA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.20
Rot. Bonds6

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

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate (PubChem CID 71082894) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate
PubChem CID71082894
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate
SMILESCCCCNC(=O)Oc1cncc(-c2cc(CC)c(=O)[nH]c2C)c1
InChIInChI=1S/C18H23N3O3/c1-4-6-7-20-18(23)24-15-8-14(10-19-11-15)16-9-13(5-2)17(22)21-12(16)3/h8-11H,4-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKNUVXMVDDJQOJA-UHFFFAOYSA-N
XLogP3.20
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate (CID 71082894) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate is CCCCNC(=O)Oc1cncc(-c2cc(CC)c(=O)[nH]c2C)c1.
What is the InChIKey of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate?
The InChIKey is KNUVXMVDDJQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-6-7-20-18(23)24-15-8-14(10-19-11-15)16-9-13(5-2)17(22)21-12(16)3/h8-11H,4-7H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-butylcarbamate has a molecular weight of 329.40 g/mol, XLogP of 3.20, 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-butylcarbamate is sourced from PubChem (CID 71082894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).