3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

C70H87N17O7 — CID 162050422

IUPAC3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCN1CCN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1.COC1CN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)C1.Nc1ncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H28N6O2.C23H24N6O2.C22H21N5O3.7H2/c26-23-22(25(33)29-20-10-3-1-4-11-20)30-21(17-28-23)18-8-7-9-19(16-18)24(32)27-12-15-31-13-5-2-6-14-31;1-28-10-12-29(13-11-28)23(31)17-7-5-6-16(14-17)19-15-25-21(24)20(27-19)22(30)26-18-8-3-2-4-9-18;1-30-17-12-27(13-17)22(29)15-7-5-6-14(10-15)18-11-24-20(23)19(26-18)21(28)25-16-8-3-2-4-9-16;;;;;;;/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H2,26,28)(H,27,32)(H,29,33);2-9,14-15H,10-13H2,1H3,(H2,24,25)(H,26,30);2-11,17H,12-13H2,1H3,(H2,23,24)(H,25,28);7*1H
InChIKeyYYLZGZMMVDMPGS-UHFFFAOYSA-N
MW1278.58 g/mol
LogP9.73
Rot. Bonds16

About 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 162050422) has the molecular formula C70H87N17O7 and a molecular weight of 1278.58 g/mol. Its IUPAC name is 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID162050422
Molecular FormulaC70H87N17O7
Molecular Weight1278.58 g/mol
Exact Mass1277.70
IUPAC Name3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCN1CCN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1.COC1CN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)C1.Nc1ncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H28N6O2.C23H24N6O2.C22H21N5O3.7H2/c26-23-22(25(33)29-20-10-3-1-4-11-20)30-21(17-28-23)18-8-7-9-19(16-18)24(32)27-12-15-31-13-5-2-6-14-31;1-28-10-12-29(13-11-28)23(31)17-7-5-6-16(14-17)19-15-25-21(24)20(27-19)22(30)26-18-8-3-2-4-9-18;1-30-17-12-27(13-17)22(29)15-7-5-6-14(10-15)18-11-24-20(23)19(26-18)21(28)25-16-8-3-2-4-9-16;;;;;;;/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H2,26,28)(H,27,32)(H,29,33);2-9,14-15H,10-13H2,1H3,(H2,24,25)(H,26,30);2-11,17H,12-13H2,1H3,(H2,23,24)(H,25,28);7*1H
InChIKeyYYLZGZMMVDMPGS-UHFFFAOYSA-N
XLogP9.73
TPSA328.13 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001278.58
LogP ≤ 59.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 18362838
3-amino-6-[4-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471971
3-Amino-6-(3-(morpholine-4-carbonyl)phenyl)-n-phenylpyrazine-2-carboxamide
CID 59472084
3-amino-6-[3-[2-methoxyethyl(methyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 59472135
US9656988, Example 319
CID 118114810
3-amino-6-[4-(morpholine-4-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 172434452
6-[4-[3-(ethylamino)-2-pyridyl]piperazine-1-carbonyl]-N-(2-morpholin-2-ylethyl)pyridine-3-carboxamide
CID 499737
6-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-N-(2-morpholin-2-ylethyl)pyridine-3-carboxamide
CID 499750
3-amino-6-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471629
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-6-[3-(morpholine-4-carbonyl)phenyl]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 59471743
3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
CID 59471866

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 162050422) is 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is CN1CCN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)CC1.COC1CN(C(=O)c2cccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)c2)C1.Nc1ncc(-c2cccc(C(=O)NCCN3CCCCC3)c2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is YYLZGZMMVDMPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C23H24N6O2.C22H21N5O3.7H2/c26-23-22(25(33)29-20-10-3-1-4-11-20)30-21(17-28-23)18-8-7-9-19(16-18)24(32)27-12-15-31-13-5-2-6-14-31;1-28-10-12-29(13-11-28)23(31)17-7-5-6-16(14-17)19-15-25-21(24)20(27-19)22(30)26-18-8-3-2-4-9-18;1-30-17-12-27(13-17)22(29)15-7-5-6-14(10-15)18-11-24-20(23)19(26-18)21(28)25-16-8-3-2-4-9-16;;;;;;;/h1,3-4,7-11,16-17H,2,5-6,12-15H2,(H2,26,28)(H,27,32)(H,29,33);2-9,14-15H,10-13H2,1H3,(H2,24,25)(H,26,30);2-11,17H,12-13H2,1H3,(H2,23,24)(H,25,28);7*1H.
What are the key properties of 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1278.58 g/mol, XLogP of 9.73, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(3-methoxyazetidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 162050422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).