6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

C74H93N15O4 — CID 157190323

IUPAC6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCN(C)CC1.C=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCNCC1.Cc1ncc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27N5O2.C25H27N5O.C24H25N5O.7H2/c1-17-23(24(31)27-20-7-5-4-6-8-20)28-22(15-26-17)18-9-11-19(12-10-18)25(32)30-14-13-21(16-30)29(2)3;1-18-24(25(31)27-22-7-5-4-6-8-22)28-23(17-26-18)21-11-9-20(10-12-21)19(2)30-15-13-29(3)14-16-30;1-17-23(24(30)27-21-6-4-3-5-7-21)28-22(16-26-17)20-10-8-19(9-11-20)18(2)29-14-12-25-13-15-29;;;;;;;/h4-12,15,21H,13-14,16H2,1-3H3,(H,27,31);4-12,17H,2,13-16H2,1,3H3,(H,27,31);3-11,16,25H,2,12-15H2,1H3,(H,27,30);7*1H/t21-;;;;;;;;;/m1........./s1
InChIKeyAPPUHTKQYRNNGJ-HRACBDAPSA-N
MW1256.66 g/mol
LogP12.71
Rot. Bonds15

About 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 157190323) has the molecular formula C74H93N15O4 and a molecular weight of 1256.66 g/mol. Its IUPAC name is 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID157190323
Molecular FormulaC74H93N15O4
Molecular Weight1256.66 g/mol
Exact Mass1255.75
IUPAC Name6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCN(C)CC1.C=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCNCC1.Cc1ncc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27N5O2.C25H27N5O.C24H25N5O.7H2/c1-17-23(24(31)27-20-7-5-4-6-8-20)28-22(15-26-17)18-9-11-19(12-10-18)25(32)30-14-13-21(16-30)29(2)3;1-18-24(25(31)27-22-7-5-4-6-8-22)28-23(17-26-18)21-11-9-20(10-12-21)19(2)30-15-13-29(3)14-16-30;1-17-23(24(30)27-21-6-4-3-5-7-21)28-22(16-26-17)20-10-8-19(9-11-20)18(2)29-14-12-25-13-15-29;;;;;;;/h4-12,15,21H,13-14,16H2,1-3H3,(H,27,31);4-12,17H,2,13-16H2,1,3H3,(H,27,31);3-11,16,25H,2,12-15H2,1H3,(H,27,30);7*1H/t21-;;;;;;;;;/m1........./s1
InChIKeyAPPUHTKQYRNNGJ-HRACBDAPSA-N
XLogP12.71
TPSA209.94 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001256.66
LogP ≤ 512.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 157190323) is 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCN(C)CC1.C=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCNCC1.Cc1ncc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is APPUHTKQYRNNGJ-HRACBDAPSA-N. The full InChI is InChI=1S/C25H27N5O2.C25H27N5O.C24H25N5O.7H2/c1-17-23(24(31)27-20-7-5-4-6-8-20)28-22(15-26-17)18-9-11-19(12-10-18)25(32)30-14-13-21(16-30)29(2)3;1-18-24(25(31)27-22-7-5-4-6-8-22)28-23(17-26-18)21-11-9-20(10-12-21)19(2)30-15-13-29(3)14-16-30;1-17-23(24(30)27-21-6-4-3-5-7-21)28-22(16-26-17)20-10-8-19(9-11-20)18(2)29-14-12-25-13-15-29;;;;;;;/h4-12,15,21H,13-14,16H2,1-3H3,(H,27,31);4-12,17H,2,13-16H2,1,3H3,(H,27,31);3-11,16,25H,2,12-15H2,1H3,(H,27,30);7*1H/t21-;;;;;;;;;/m1........./s1.
What are the key properties of 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1256.66 g/mol, XLogP of 12.71, 15 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(1-piperazin-1-ylethenyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 157190323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).