6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

C80H101N15O6 — CID 157203086

IUPAC6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C28H31N5O2.C24H27N5O2.6H2/c1-20-26(27(34)30-23-8-3-2-4-9-23)31-25(18-29-20)21-11-13-22(14-12-21)28(35)33-17-7-10-24(33)19-32-15-5-6-16-32;1-20-26(27(34)30-23-7-3-2-4-8-23)31-25(19-29-20)21-9-11-22(12-10-21)28(35)33-17-13-24(14-18-33)32-15-5-6-16-32;1-17-22(23(30)26-20-8-6-5-7-9-20)27-21(16-25-17)18-10-12-19(13-11-18)24(31)29(4)15-14-28(2)3;;;;;;/h2-4,8-9,11-14,18,24H,5-7,10,15-17,19H2,1H3,(H,30,34);2-4,7-12,19,24H,5-6,13-18H2,1H3,(H,30,34);5-13,16H,14-15H2,1-4H3,(H,26,30);6*1H/t24-;;;;;;;;/m1......../s1
InChIKeyARAKIPRKUPRGAF-LBAKLGMSSA-N
MW1368.79 g/mol
LogP13.62
Rot. Bonds18

About 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen

6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 157203086) has the molecular formula C80H101N15O6 and a molecular weight of 1368.79 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID157203086
Molecular FormulaC80H101N15O6
Molecular Weight1368.79 g/mol
Exact Mass1367.81
IUPAC Name6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C28H31N5O2.C24H27N5O2.6H2/c1-20-26(27(34)30-23-8-3-2-4-9-23)31-25(18-29-20)21-11-13-22(14-12-21)28(35)33-17-7-10-24(33)19-32-15-5-6-16-32;1-20-26(27(34)30-23-7-3-2-4-8-23)31-25(19-29-20)21-9-11-22(12-10-21)28(35)33-17-13-24(14-18-33)32-15-5-6-16-32;1-17-22(23(30)26-20-8-6-5-7-9-20)27-21(16-25-17)18-10-12-19(13-11-18)24(31)29(4)15-14-28(2)3;;;;;;/h2-4,8-9,11-14,18,24H,5-7,10,15-17,19H2,1H3,(H,30,34);2-4,7-12,19,24H,5-6,13-18H2,1H3,(H,30,34);5-13,16H,14-15H2,1-4H3,(H,26,30);6*1H/t24-;;;;;;;;/m1......../s1
InChIKeyARAKIPRKUPRGAF-LBAKLGMSSA-N
XLogP13.62
TPSA235.29 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001368.79
LogP ≤ 513.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

(2S)-1-(3-phenylpyridine-2-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-phenylpyridine-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768908
(2S)-1-(isoquinoline-4-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(isoquinoline-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 76310771
N-[(2S)-1-[(2S)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-[4-[(2S)-3-[(2S)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-2-[(2-ethylquinoline-3-carbonyl)-methylamino]-3-oxopropyl]triazol-1-yl]-1-oxobutan-2-yl]-2-ethyl-N-methylquinoline-3-carboxamide
CID 155524952
N-[(2S)-1-[(2S)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-[4-[(2S)-3-[(2S)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-2-[methyl(quinoline-3-carbonyl)amino]-3-oxopropyl]triazol-1-yl]-1-oxobutan-2-yl]-N-methylquinoline-3-carboxamide
CID 155550427
1-methyl-4-[[4-[4-[[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
CID 44234163
5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyridine-2-carboxamide
CID 24916864
5-(4-(4-(methylsulfonyl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(pyrrolidin-1-yl)benzyl)piperidin-4-yl)picolinamide
CID 58073489
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(pyrrolidin-1-yl)benzyl)piperidin-4-yl)nicotinamide
CID 66710698
N-[4-(dimethylamino)phenyl]-4-[[4-[4-[[5-[[4-(dimethylamino)phenyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 44233901
1-methyl-4-[[4-[[4-[[1-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]phenyl]methyl]benzoyl]amino]-N-(2-pyrrolidin-1-ylethyl)pyrrole-2-carboxamide
CID 44234654
1-methyl-4-[[4-[[4-[[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]phenyl]methyl]benzoyl]amino]-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
CID 44234655
1-methyl-4-[[4-[4-[[1-methyl-5-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]pyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 44235169

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 157203086) is 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)nc1C(=O)Nc1ccccc1.Cc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is ARAKIPRKUPRGAF-LBAKLGMSSA-N. The full InChI is InChI=1S/2C28H31N5O2.C24H27N5O2.6H2/c1-20-26(27(34)30-23-8-3-2-4-9-23)31-25(18-29-20)21-11-13-22(14-12-21)28(35)33-17-7-10-24(33)19-32-15-5-6-16-32;1-20-26(27(34)30-23-7-3-2-4-8-23)31-25(19-29-20)21-9-11-22(12-10-21)28(35)33-17-13-24(14-18-33)32-15-5-6-16-32;1-17-22(23(30)26-20-8-6-5-7-9-20)27-21(16-25-17)18-10-12-19(13-11-18)24(31)29(4)15-14-28(2)3;;;;;;/h2-4,8-9,11-14,18,24H,5-7,10,15-17,19H2,1H3,(H,30,34);2-4,7-12,19,24H,5-6,13-18H2,1H3,(H,30,34);5-13,16H,14-15H2,1-4H3,(H,26,30);6*1H/t24-;;;;;;;;/m1......../s1.
What are the key properties of 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1368.79 g/mol, XLogP of 13.62, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 157203086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).