4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide

C25H28N4O2 — CID 50848338

IUPAC4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(-c3nccnc3N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C25H28N4O2/c1-17-14-18(2)22(19(3)15-17)16-28-25(30)21-6-4-20(5-7-21)23-24(27-9-8-26-23)29-10-12-31-13-11-29/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,30)
InChIKeyJELPRXJKCXBRCM-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.84
Rot. Bonds5

About 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide

4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide (PubChem CID 50848338) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
PubChem CID50848338
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(-c3nccnc3N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C25H28N4O2/c1-17-14-18(2)22(19(3)15-17)16-28-25(30)21-6-4-20(5-7-21)23-24(27-9-8-26-23)29-10-12-31-13-11-29/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,30)
InChIKeyJELPRXJKCXBRCM-UHFFFAOYSA-N
XLogP3.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848410
N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848385
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide
CID 92901391
N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848199
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
4-morpholin-4-yl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 126854137
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 118453991
2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670736
1-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-3-[4-(3-morpholin-4-ylpyrazin-2-yl)phenyl]propan-2-one
CID 159497289

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
The IUPAC name of 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide (CID 50848338) is 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
The canonical SMILES for 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide is Cc1cc(C)c(CNC(=O)c2ccc(-c3nccnc3N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
The InChIKey is JELPRXJKCXBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-14-18(2)22(19(3)15-17)16-28-25(30)21-6-4-20(5-7-21)23-24(27-9-8-26-23)29-10-12-31-13-11-29/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,30).
What are the key properties of 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide is sourced from PubChem (CID 50848338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).