N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide

C17H27N3O3 — CID 70972174

IUPACN-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(=O)n(CCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O3/c1-4-17(2,3)18-16(22)14-5-6-15(21)20(13-14)8-7-19-9-11-23-12-10-19/h5-6,13H,4,7-12H2,1-3H3,(H,18,22)
InChIKeyROINVWUFTQQNEA-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.10
Rot. Bonds6

About N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide

N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide (PubChem CID 70972174) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide
PubChem CID70972174
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(=O)n(CCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O3/c1-4-17(2,3)18-16(22)14-5-6-15(21)20(13-14)8-7-19-9-11-23-12-10-19/h5-6,13H,4,7-12H2,1-3H3,(H,18,22)
InChIKeyROINVWUFTQQNEA-UHFFFAOYSA-N
XLogP1.10
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide 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 N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide (CID 70972174) is N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide is CCC(C)(C)NC(=O)c1ccc(=O)n(CCN2CCOCC2)c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is ROINVWUFTQQNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-17(2,3)18-16(22)14-5-6-15(21)20(13-14)8-7-19-9-11-23-12-10-19/h5-6,13H,4,7-12H2,1-3H3,(H,18,22).
What are the key properties of N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide?
N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 70972174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).