(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide

C22H23N3O2 — CID 25375332

IUPAC(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2cnc(C)cn2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-13-24-19(14-23-16)15-25-22(26)12-21(17-6-4-3-5-7-17)18-8-10-20(27-2)11-9-18/h3-11,13-14,21H,12,15H2,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyHNRWULVYXOXCEX-OAQYLSRUSA-N
MW361.45 g/mol
LogP3.63
Rot. Bonds7

About (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide

(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 25375332) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
PubChem CID25375332
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2cnc(C)cn2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-13-24-19(14-23-16)15-25-22(26)12-21(17-6-4-3-5-7-17)18-8-10-20(27-2)11-9-18/h3-11,13-14,21H,12,15H2,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyHNRWULVYXOXCEX-OAQYLSRUSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25368116
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-(4-methoxyphenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62845557
N-[(5-methylpyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 171090606
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide (CID 25375332) is (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide is COc1ccc([C@H](CC(=O)NCc2cnc(C)cn2)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is HNRWULVYXOXCEX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-13-24-19(14-23-16)15-25-22(26)12-21(17-6-4-3-5-7-17)18-8-10-20(27-2)11-9-18/h3-11,13-14,21H,12,15H2,1-2H3,(H,25,26)/t21-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 25375332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).