3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide

C22H22N4O2 — CID 91110077

IUPAC3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16-21(22(27)24-18-7-3-2-4-8-18)25-20(15-23-16)17-6-5-9-19(14-17)26-10-12-28-13-11-26/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyHSLQXYFXPDHOKN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.54
Rot. Bonds4

About 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide

3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 91110077) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID91110077
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16-21(22(27)24-18-7-3-2-4-8-18)25-20(15-23-16)17-6-5-9-19(14-17)26-10-12-28-13-11-26/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyHSLQXYFXPDHOKN-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
CID 160820258
3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 158922559
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
4,5-dimethyl-N-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302620
CID 89285124
CID 89285124
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
N-(3-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71938580
3-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110612966
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide (CID 91110077) is 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide is Cc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is HSLQXYFXPDHOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-21(22(27)24-18-7-3-2-4-8-18)25-20(15-23-16)17-6-5-9-19(14-17)26-10-12-28-13-11-26/h2-9,14-15H,10-13H2,1H3,(H,24,27).
What are the key properties of 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide?
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 91110077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).