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

C53H65N11O3 — CID 157156355

IUPAC6-[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
SMILESC=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCN(CCC#N)CC1.Cc1ncc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H28N6O.C26H29N5O2.4H2/c1-20-26(27(34)30-24-7-4-3-5-8-24)31-25(19-29-20)23-11-9-22(10-12-23)21(2)33-17-15-32(16-18-33)14-6-13-28;1-18-24(25(32)28-21-7-5-4-6-8-21)29-23(17-27-18)19-9-11-20(12-10-19)26(33)31-15-13-22(14-16-31)30(2)3;;;;/h3-5,7-12,19H,2,6,14-18H2,1H3,(H,30,34);4-12,17,22H,13-16H2,1-3H3,(H,28,32);4*1H
InChIKeyALVVOYCYCNZQOV-UHFFFAOYSA-N
MW904.18 g/mol
LogP9.06
Rot. Bonds12

About 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

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 (PubChem CID 157156355) has the molecular formula C53H65N11O3 and a molecular weight of 904.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID157156355
Molecular FormulaC53H65N11O3
Molecular Weight904.18 g/mol
Exact Mass903.53
IUPAC Name6-[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
SMILESC=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCN(CCC#N)CC1.Cc1ncc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H28N6O.C26H29N5O2.4H2/c1-20-26(27(34)30-24-7-4-3-5-8-24)31-25(19-29-20)23-11-9-22(10-12-23)21(2)33-17-15-32(16-18-33)14-6-13-28;1-18-24(25(32)28-21-7-5-4-6-8-21)29-23(17-27-18)19-9-11-20(12-10-19)26(33)31-15-13-22(14-16-31)30(2)3;;;;/h3-5,7-12,19H,2,6,14-18H2,1H3,(H,30,34);4-12,17,22H,13-16H2,1-3H3,(H,28,32);4*1H
InChIKeyALVVOYCYCNZQOV-UHFFFAOYSA-N
XLogP9.06
TPSA163.58 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500904.18
LogP ≤ 59.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 158922559
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
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
3-amino-6-[4-[2-[4-(diethylamino)piperidin-1-yl]ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 130228785
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077
3-[4-(3-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 28705387
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCN(CCC#N)CC1.Cc1ncc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is ALVVOYCYCNZQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O.C26H29N5O2.4H2/c1-20-26(27(34)30-24-7-4-3-5-8-24)31-25(19-29-20)23-11-9-22(10-12-23)21(2)33-17-15-32(16-18-33)14-6-13-28;1-18-24(25(32)28-21-7-5-4-6-8-21)29-23(17-27-18)19-9-11-20(12-10-19)26(33)31-15-13-22(14-16-31)30(2)3;;;;/h3-5,7-12,19H,2,6,14-18H2,1H3,(H,30,34);4-12,17,22H,13-16H2,1-3H3,(H,28,32);4*1H.
What are the key properties of 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?
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 has a molecular weight of 904.18 g/mol, XLogP of 9.06, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157156355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).