N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide

C25H28N4O2 — CID 92901391

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(-c3nccnc3N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C25H28N4O2/c1-17-7-8-22(18(2)15-17)19(3)28-25(30)21-6-4-5-20(16-21)23-24(27-10-9-26-23)29-11-13-31-14-12-29/h4-10,15-16,19H,11-14H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyYFUCGSZFLNFULI-LJQANCHMSA-N
MW416.53 g/mol
LogP4.09
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide (PubChem CID 92901391) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide
PubChem CID92901391
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(-c3nccnc3N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C25H28N4O2/c1-17-7-8-22(18(2)15-17)19(3)28-25(30)21-6-4-5-20(16-21)23-24(27-10-9-26-23)29-11-13-31-14-12-29/h4-10,15-16,19H,11-14H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyYFUCGSZFLNFULI-LJQANCHMSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51956598
4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 50848338
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
3-(azepan-1-ylsulfonyl)-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53285860
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
CID 48982884
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 39854513
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43885091
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
CID 17327781
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide (CID 92901391) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide is Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3nccnc3N3CCOCC3)c2)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide?
The InChIKey is YFUCGSZFLNFULI-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-7-8-22(18(2)15-17)19(3)28-25(30)21-6-4-5-20(16-21)23-24(27-10-9-26-23)29-11-13-31-14-12-29/h4-10,15-16,19H,11-14H2,1-3H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(3-morpholin-4-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 92901391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).