N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide

C19H21N3O3 — CID 109082965

IUPACN-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21N3O3/c1-21(14-15-5-3-2-4-6-15)18(23)16-7-8-20-17(13-16)19(24)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyAIHIVZKCNNRUED-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.83
Rot. Bonds4

About N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide

N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide (PubChem CID 109082965) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
PubChem CID109082965
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21N3O3/c1-21(14-15-5-3-2-4-6-15)18(23)16-7-8-20-17(13-16)19(24)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyAIHIVZKCNNRUED-UHFFFAOYSA-N
XLogP1.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide (CID 109082965) is N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The InChIKey is AIHIVZKCNNRUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(14-15-5-3-2-4-6-15)18(23)16-7-8-20-17(13-16)19(24)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109082965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).