N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide

C22H23N3O3 — CID 46820307

IUPACN-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CC(NC(=O)c2cnc(C)cn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-13-24-21(14-23-15)22(26)25-20(17-6-10-19(28-3)11-7-17)12-16-4-8-18(27-2)9-5-16/h4-11,13-14,20H,12H2,1-3H3,(H,25,26)
InChIKeyOPUFHORWIOLTDX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.52
Rot. Bonds7

About N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide

N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 46820307) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID46820307
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CC(NC(=O)c2cnc(C)cn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-13-24-21(14-23-15)22(26)25-20(17-6-10-19(28-3)11-7-17)12-16-4-8-18(27-2)9-5-16/h4-11,13-14,20H,12H2,1-3H3,(H,25,26)
InChIKeyOPUFHORWIOLTDX-UHFFFAOYSA-N
XLogP3.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
CID 46820321
(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 40972028
propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 26069709
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-[1-(4-methoxyphenyl)propyl]-6-methylpyridine-2-carboxamide
CID 134001680
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-iodobenzamide
CID 56728750
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 46820313

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide (CID 46820307) is N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide is COc1ccc(CC(NC(=O)c2cnc(C)cn2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is OPUFHORWIOLTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-13-24-21(14-23-15)22(26)25-20(17-6-10-19(28-3)11-7-17)12-16-4-8-18(27-2)9-5-16/h4-11,13-14,20H,12H2,1-3H3,(H,25,26).
What are the key properties of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide?
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 46820307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).