4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide

C24H26N4O3 — CID 127251199

IUPAC4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
SMILESCOc1cc(C)ccc1CN1CCOC(c2nccnc2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C24H26N4O3/c1-16-3-4-19(20(13-16)30-2)14-28-11-12-31-21(15-28)23-22(26-9-10-27-23)17-5-7-18(8-6-17)24(25)29/h3-10,13,21H,11-12,14-15H2,1-2H3,(H2,25,29)
InChIKeyMTUXBEJAXOOFBU-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.13
Rot. Bonds6

About 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide

4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide (PubChem CID 127251199) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
PubChem CID127251199
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
SMILESCOc1cc(C)ccc1CN1CCOC(c2nccnc2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C24H26N4O3/c1-16-3-4-19(20(13-16)30-2)14-28-11-12-31-21(15-28)23-22(26-9-10-27-23)17-5-7-18(8-6-17)24(25)29/h3-10,13,21H,11-12,14-15H2,1-2H3,(H2,25,29)
InChIKeyMTUXBEJAXOOFBU-UHFFFAOYSA-N
XLogP3.13
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(2S)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
CID 129360738
4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125025576
4-[3-[4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
CID 127251203
4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine
CID 127250972
6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248389
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
3-[6-[4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 127250616
3-[6-[(2S)-4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124940397
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide (CID 127251199) is 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide is COc1cc(C)ccc1CN1CCOC(c2nccnc2-c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
The InChIKey is MTUXBEJAXOOFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-3-4-19(20(13-16)30-2)14-28-11-12-31-21(15-28)23-22(26-9-10-27-23)17-5-7-18(8-6-17)24(25)29/h3-10,13,21H,11-12,14-15H2,1-2H3,(H2,25,29).
What are the key properties of 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide?
4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 127251199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).