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

C17H21N3O4 — CID 71082818

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCC(C)O)c2)c(C)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-4-12-6-15(11(3)20-16(12)22)13-5-14(9-18-8-13)24-17(23)19-7-10(2)21/h5-6,8-10,21H,4,7H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWGLZGMRIIQRLNP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.78
Rot. Bonds5

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

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate (PubChem CID 71082818) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate
PubChem CID71082818
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCC(C)O)c2)c(C)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-4-12-6-15(11(3)20-16(12)22)13-5-14(9-18-8-13)24-17(23)19-7-10(2)21/h5-6,8-10,21H,4,7H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyWGLZGMRIIQRLNP-UHFFFAOYSA-N
XLogP1.78
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate (CID 71082818) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate is CCc1cc(-c2cncc(OC(=O)NCC(C)O)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-hydroxypropyl)carbamate?
The InChIKey is WGLZGMRIIQRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-12-6-15(11(3)20-16(12)22)13-5-14(9-18-8-13)24-17(23)19-7-10(2)21/h5-6,8-10,21H,4,7H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-hydroxypropyl)carbamate has a molecular weight of 331.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 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-hydroxypropyl)carbamate is sourced from PubChem (CID 71082818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).