N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C23H31N3O3 — CID 71685809

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)c(=O)[nH]2)c1
InChIInChI=1S/C23H31N3O3/c1-15-7-6-8-18(11-15)20-10-9-19(22(28)25-20)21(27)24-14-23(4,5)26-12-16(2)29-17(3)13-26/h6-11,16-17H,12-14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyXQAZGTUFAAHBSC-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71685809) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71685809
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)c(=O)[nH]2)c1
InChIInChI=1S/C23H31N3O3/c1-15-7-6-8-18(11-15)20-10-9-19(22(28)25-20)21(27)24-14-23(4,5)26-12-16(2)29-17(3)13-26/h6-11,16-17H,12-14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyXQAZGTUFAAHBSC-UHFFFAOYSA-N
XLogP2.97
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-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-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 71685809) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)NCC(C)(C)N3CC(C)OC(C)C3)c(=O)[nH]2)c1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XQAZGTUFAAHBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15-7-6-8-18(11-15)20-10-9-19(22(28)25-20)21(27)24-14-23(4,5)26-12-16(2)29-17(3)13-26/h6-11,16-17H,12-14H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71685809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).