3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

C72H87N13O6 — CID 158094403

IUPAC3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)N3CCC(C)C3)c2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)N3CCCC3)c2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27N5O2.C24H24N4O2.C23H22N4O2.7H2/c1-17-23(25(32)28-20-6-4-3-5-7-20)29-22(16-26-17)18-8-10-19(11-9-18)24(31)27-21-12-14-30(2)15-13-21;1-16-11-12-28(15-16)24(30)19-8-6-7-18(13-19)21-14-25-17(2)22(27-21)23(29)26-20-9-4-3-5-10-20;1-16-21(22(28)25-19-10-3-2-4-11-19)26-20(15-24-16)17-8-7-9-18(14-17)23(29)27-12-5-6-13-27;;;;;;;/h3-11,16,21H,12-15H2,1-2H3,(H,27,31)(H,28,32);3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,29);2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28);7*1H
InChIKeyFOMNRRZZICXYQB-UHFFFAOYSA-N
MW1230.57 g/mol
LogP13.38
Rot. Bonds13

About 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 158094403) has the molecular formula C72H87N13O6 and a molecular weight of 1230.57 g/mol. Its IUPAC name is 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID158094403
Molecular FormulaC72H87N13O6
Molecular Weight1230.57 g/mol
Exact Mass1229.69
IUPAC Name3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)N3CCC(C)C3)c2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)N3CCCC3)c2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27N5O2.C24H24N4O2.C23H22N4O2.7H2/c1-17-23(25(32)28-20-6-4-3-5-7-20)29-22(16-26-17)18-8-10-19(11-9-18)24(31)27-21-12-14-30(2)15-13-21;1-16-11-12-28(15-16)24(30)19-8-6-7-18(13-19)21-14-25-17(2)22(27-21)23(29)26-20-9-4-3-5-10-20;1-16-21(22(28)25-19-10-3-2-4-11-19)26-20(15-24-16)17-8-7-9-18(14-17)23(29)27-12-5-6-13-27;;;;;;;/h3-11,16,21H,12-15H2,1-2H3,(H,27,31)(H,28,32);3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,29);2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28);7*1H
InChIKeyFOMNRRZZICXYQB-UHFFFAOYSA-N
XLogP13.38
TPSA237.60 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001230.57
LogP ≤ 513.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 158922559
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 161457477
3-methyl-N-phenyl-6-[4-(4-prop-2-ynylpiperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
CID 158896639
6-[4-[1-[4-(2-cyanoethyl)piperazin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157156355
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
CID 160820258
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108549433
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 158094403) is 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)N3CCC(C)C3)c2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2cccc(C(=O)N3CCCC3)c2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is FOMNRRZZICXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.C24H24N4O2.C23H22N4O2.7H2/c1-17-23(25(32)28-20-6-4-3-5-7-20)29-22(16-26-17)18-8-10-19(11-9-18)24(31)27-21-12-14-30(2)15-13-21;1-16-11-12-28(15-16)24(30)19-8-6-7-18(13-19)21-14-25-17(2)22(27-21)23(29)26-20-9-4-3-5-10-20;1-16-21(22(28)25-19-10-3-2-4-11-19)26-20(15-24-16)17-8-7-9-18(14-17)23(29)27-12-5-6-13-27;;;;;;;/h3-11,16,21H,12-15H2,1-2H3,(H,27,31)(H,28,32);3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,29);2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28);7*1H.
What are the key properties of 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1230.57 g/mol, XLogP of 13.38, 13 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-6-[3-(3-methylpyrrolidine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158094403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).