6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen

C77H88N18O9 — CID 159167896

IUPAC6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESCC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.NC(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H21N5O3.C19H16N4O2.C18H15N5O2.C18H16N4O2.10H2/c23-20-19(21(28)25-17-7-2-1-3-8-17)26-18(14-24-20)15-5-4-6-16(13-15)22(29)27-9-11-30-12-10-27;1-12(24)13-7-9-14(10-8-13)16-11-21-18(20)17(23-16)19(25)22-15-5-3-2-4-6-15;19-16-15(18(25)22-13-7-2-1-3-8-13)23-14(10-21-16)11-5-4-6-12(9-11)17(20)24;19-17-16(18(24)21-13-7-2-1-3-8-13)22-15(10-20-17)14-9-5-4-6-12(14)11-23;;;;;;;;;;/h1-8,13-14H,9-12H2,(H2,23,24)(H,25,28);2-11H,1H3,(H2,20,21)(H,22,25);1-10H,(H2,19,21)(H2,20,24)(H,22,25);1-10,23H,11H2,(H2,19,20)(H,21,24);10*1H
InChIKeyKLHQAEXWTULJTD-UHFFFAOYSA-N
MW1409.67 g/mol
LogP12.64
Rot. Bonds16

About 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen

6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 159167896) has the molecular formula C77H88N18O9 and a molecular weight of 1409.67 g/mol. Its IUPAC name is 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID159167896
Molecular FormulaC77H88N18O9
Molecular Weight1409.67 g/mol
Exact Mass1408.70
IUPAC Name6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESCC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.NC(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H21N5O3.C19H16N4O2.C18H15N5O2.C18H16N4O2.10H2/c23-20-19(21(28)25-17-7-2-1-3-8-17)26-18(14-24-20)15-5-4-6-16(13-15)22(29)27-9-11-30-12-10-27;1-12(24)13-7-9-14(10-8-13)16-11-21-18(20)17(23-16)19(25)22-15-5-3-2-4-6-15;19-16-15(18(25)22-13-7-2-1-3-8-13)23-14(10-21-16)11-5-4-6-12(9-11)17(20)24;19-17-16(18(24)21-13-7-2-1-3-8-13)22-15(10-20-17)14-9-5-4-6-12(14)11-23;;;;;;;;;;/h1-8,13-14H,9-12H2,(H2,23,24)(H,25,28);2-11H,1H3,(H2,20,21)(H,22,25);1-10H,(H2,19,21)(H2,20,24)(H,22,25);1-10,23H,11H2,(H2,19,20)(H,21,24);10*1H
InChIKeyKLHQAEXWTULJTD-UHFFFAOYSA-N
XLogP12.64
TPSA433.53 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001409.67
LogP ≤ 512.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

6-(3-acetylphenyl)-3-methyl-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(1-hydroxyethenyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157817437
1-[4-(difluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(fluoromethyl)-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-(hydroxymethyl)-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159488544
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-benzylbenzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[[3-(dimethylamino)phenyl]methyl]benzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-(pyrazin-2-ylmethyl)benzamide;4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 159765726
3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen
CID 159844548
3-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;5-[5-[2-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-(methylaminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 160613806
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-[3-(difluoromethyl)phenyl]-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide
CID 161665573
3-amino-6-[4-(methanesulfonamido)phenyl]-N-phenylpyrazine-2-carboxamide;3-[5-amino-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-amino-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 161897269
2-(azetidin-1-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(difluoromethyl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-[2-methoxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-6-oxo-5-(3-oxomorpholin-4-yl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 162087316
4-[[5-[3-[2-[4-fluoro-3-[4-[[5-[(3S,5S)-3-[[2-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-6-(piperidin-1-ylmethyl)phenyl]methyl]-5-methylmorpholin-4-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]propyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-2-[2-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 167232831
3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]benzoic acid;3-amino-N-methyl-6-[3-[(4-morpholin-4-ylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide;(4-morpholin-4-ylphenyl)methanamine;(4-morpholin-4-ylphenyl)methanol
CID 157078520
2-[2-[2-(5-Carbamimidoyl-2-pyridinyl)acetyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid;6-(cyclopropylmethylcarbamoyl)-3-[2-[2-(4-ethanimidoylphenyl)acetyl]-4-ethenyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid;6-(cyclopropylmethylcarbamoyl)-3-[2-[2-(4-ethanimidoylphenyl)acetyl]-4-ethenylphenyl]pyridine-2-carboxylic acid;3-[2-[2-(4-ethanimidoylphenyl)acetyl]-4-ethenylphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 157094575
N-[5-[2,6-bis(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(hydroxymethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;(E)-N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-methyl-6-[6-oxo-5-[(4-piperidin-1-ylbenzoyl)amino]-1H-pyridin-3-yl]pyridine-2-carboxamide
CID 157143904

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (CID 159167896) is 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen is CC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.NC(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.Nc1ncc(-c2cccc(C(=O)N3CCOCC3)c2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccccc2CO)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is KLHQAEXWTULJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3.C19H16N4O2.C18H15N5O2.C18H16N4O2.10H2/c23-20-19(21(28)25-17-7-2-1-3-8-17)26-18(14-24-20)15-5-4-6-16(13-15)22(29)27-9-11-30-12-10-27;1-12(24)13-7-9-14(10-8-13)16-11-21-18(20)17(23-16)19(25)22-15-5-3-2-4-6-15;19-16-15(18(25)22-13-7-2-1-3-8-13)23-14(10-21-16)11-5-4-6-12(9-11)17(20)24;19-17-16(18(24)21-13-7-2-1-3-8-13)22-15(10-20-17)14-9-5-4-6-12(14)11-23;;;;;;;;;;/h1-8,13-14H,9-12H2,(H2,23,24)(H,25,28);2-11H,1H3,(H2,20,21)(H,22,25);1-10H,(H2,19,21)(H2,20,24)(H,22,25);1-10,23H,11H2,(H2,19,20)(H,21,24);10*1H.
What are the key properties of 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1409.67 g/mol, XLogP of 12.64, 16 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide;3-amino-6-(3-carbamoylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159167896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).