4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide

C22H23N5O3 — CID 59793903

IUPAC4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1
InChIInChI=1S/C22H23N5O3/c1-15-5-3-4-6-17(15)24-21(29)19-14-27(11-12-30-19)22-25-18(13-20(28)26(22)2)16-7-9-23-10-8-16/h3-10,13,19H,11-12,14H2,1-2H3,(H,24,29)
InChIKeyQZHAWIVXDWTZSS-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.99
Rot. Bonds4

About 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide

4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide (PubChem CID 59793903) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide
PubChem CID59793903
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1
InChIInChI=1S/C22H23N5O3/c1-15-5-3-4-6-17(15)24-21(29)19-14-27(11-12-30-19)22-25-18(13-20(28)26(22)2)16-7-9-23-10-8-16/h3-10,13,19H,11-12,14H2,1-2H3,(H,24,29)
InChIKeyQZHAWIVXDWTZSS-UHFFFAOYSA-N
XLogP1.99
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide?
The IUPAC name of 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide (CID 59793903) is 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide is Cc1ccccc1NC(=O)C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCO1.
What is the InChIKey of 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide?
The InChIKey is QZHAWIVXDWTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15-5-3-4-6-17(15)24-21(29)19-14-27(11-12-30-19)22-25-18(13-20(28)26(22)2)16-7-9-23-10-8-16/h3-10,13,19H,11-12,14H2,1-2H3,(H,24,29).
What are the key properties of 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide?
4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 59793903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).