1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide

C19H21N3O4 — CID 136537487

IUPAC1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H21N3O4/c1-13-3-5-15(11-16(13)19(25)22-7-9-26-10-8-22)20-18(24)14-4-6-17(23)21(2)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyOTBBGRCPGBGCOF-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.42
Rot. Bonds3

About 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide

1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 136537487) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID136537487
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H21N3O4/c1-13-3-5-15(11-16(13)19(25)22-7-9-26-10-8-22)20-18(24)14-4-6-17(23)21(2)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyOTBBGRCPGBGCOF-UHFFFAOYSA-N
XLogP1.42
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide (CID 136537487) is 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1C(=O)N1CCOCC1.
What is the InChIKey of 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is OTBBGRCPGBGCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-3-5-15(11-16(13)19(25)22-7-9-26-10-8-22)20-18(24)14-4-6-17(23)21(2)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide?
1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 136537487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).