5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide

C20H23N3O3 — CID 109103807

IUPAC5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-14(2)18(15(3)9-13)22-19(24)16-10-17(12-21-11-16)20(25)23-4-6-26-7-5-23/h8-12H,4-7H2,1-3H3,(H,22,24)
InChIKeySMAZOHQDSJLYCA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.73
Rot. Bonds3

About 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide

5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide (PubChem CID 109103807) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
PubChem CID109103807
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-14(2)18(15(3)9-13)22-19(24)16-10-17(12-21-11-16)20(25)23-4-6-26-7-5-23/h8-12H,4-7H2,1-3H3,(H,22,24)
InChIKeySMAZOHQDSJLYCA-UHFFFAOYSA-N
XLogP2.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide (CID 109103807) is 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)c(NC(=O)c2cncc(C(=O)N3CCOCC3)c2)c(C)c1.
What is the InChIKey of 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
The InChIKey is SMAZOHQDSJLYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-14(2)18(15(3)9-13)22-19(24)16-10-17(12-21-11-16)20(25)23-4-6-26-7-5-23/h8-12H,4-7H2,1-3H3,(H,22,24).
What are the key properties of 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide?
5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).