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

C71H85N13O7 — CID 157258238

IUPAC6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]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(O)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.C23H22N4O3.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;1-15-21(22(29)25-18-8-3-2-4-9-18)26-20(13-24-15)16-6-5-7-17(12-16)23(30)27-11-10-19(28)14-27;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);2-9,12-13,19,28H,10-11,14H2,1H3,(H,25,29);2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28);7*1H
InChIKeyAXDKDFWKJLZALA-UHFFFAOYSA-N
MW1232.55 g/mol
LogP12.10
Rot. Bonds13

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

6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 157258238) has the molecular formula C71H85N13O7 and a molecular weight of 1232.55 g/mol. Its IUPAC name is 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID157258238
Molecular FormulaC71H85N13O7
Molecular Weight1232.55 g/mol
Exact Mass1231.67
IUPAC Name6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]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(O)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.C23H22N4O3.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;1-15-21(22(29)25-18-8-3-2-4-9-18)26-20(13-24-15)16-6-5-7-17(12-16)23(30)27-11-10-19(28)14-27;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);2-9,12-13,19,28H,10-11,14H2,1H3,(H,25,29);2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28);7*1H
InChIKeyAXDKDFWKJLZALA-UHFFFAOYSA-N
XLogP12.10
TPSA257.83 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.55
LogP ≤ 512.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]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

N-[(2S)-1-[(2S,4R)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-4-[4-[(2S)-3-[(2S,4R)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-2-[(2-ethylquinoline-3-carbonyl)-methylamino]-3-oxopropyl]triazol-1-yl]-1-oxobutan-2-yl]-2-ethyl-N-methylquinoline-3-carboxamide
CID 155534588
N-[(2S)-1-[(2S,4R)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-4-[4-[(2S)-3-[(2S,4R)-2-[[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-2-[methyl(quinoline-3-carbonyl)amino]-3-oxopropyl]triazol-1-yl]-1-oxobutan-2-yl]-N-methylquinoline-3-carboxamide
CID 155564303
[D or LAgl (Pca)2]acyline
CID 44348265
[L or DAgl (Pca)2]acyline
CID 44348358
N-[(2S)-1-[(2S,4R)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-4-[4-[(2S)-3-[(2S,4R)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-2-[methyl(quinoline-3-carbonyl)amino]-3-oxopropyl]triazol-1-yl]-1-oxobutan-2-yl]-N-methylquinoline-3-carboxamide
CID 155530318
1-methyl-4-[[4-[4-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 44234164
N-[(2S)-1-[(2S,4R)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-4-[4-[(2S)-3-[(2S,4R)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-2-[(2-ethylquinoline-3-carbonyl)-methylamino]-3-oxopropyl]triazol-1-yl]-1-oxobutan-2-yl]-2-ethyl-N-methylquinoline-3-carboxamide
CID 155543102
L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis((2-(((5-methylpyrazinyl)carbonyl)amino)benzoyl)amino)-1,6-diphenyl-
CID 473316
N-[2-[[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[2-[(3-methylpyrazine-2-carbonyl)amino]benzoyl]amino]-1,6-diphenylhexan-2-yl]carbamoyl]phenyl]-3-methylpyrazine-2-carboxamide
CID 44320071
3-amino-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]-N-[4-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 68184661
3-amino-6-[2-fluoro-5-(phenylcarbamoyl)phenyl]-N-[4-(3-hydroxypiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 68184666
3-amino-N-[4-[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-3-pyridinyl]-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 68184679

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 157258238) is 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]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 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]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(O)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 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is AXDKDFWKJLZALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.C23H22N4O3.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;1-15-21(22(29)25-18-8-3-2-4-9-18)26-20(13-24-15)16-6-5-7-17(12-16)23(30)27-11-10-19(28)14-27;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);2-9,12-13,19,28H,10-11,14H2,1H3,(H,25,29);2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,25,28);7*1H.
What are the key properties of 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide;3-methyl-N-phenyl-6-[3-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen?
6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]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 1232.55 g/mol, XLogP of 12.10, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-methyl-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]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 157258238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).