6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen

C27H35N5O — CID 161457477

IUPAC6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCC(N(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C27H31N5O.2H2/c1-19-26(27(33)29-23-8-6-5-7-9-23)30-25(18-28-19)22-12-10-21(11-13-22)20(2)32-16-14-24(15-17-32)31(3)4;;/h5-13,18,24H,2,14-17H2,1,3-4H3,(H,29,33);2*1H
InChIKeyWBISIMARSDRKOO-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.19
Rot. Bonds6

About 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen

6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 161457477) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID161457477
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESC=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCC(N(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C27H31N5O.2H2/c1-19-26(27(33)29-23-8-6-5-7-9-23)30-25(18-28-19)22-12-10-21(11-13-22)20(2)32-16-14-24(15-17-32)31(3)4;;/h5-13,18,24H,2,14-17H2,1,3-4H3,(H,29,33);2*1H
InChIKeyWBISIMARSDRKOO-UHFFFAOYSA-N
XLogP5.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-methyl-N-phenyl-6-[4-(4-prop-2-ynylpiperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
CID 158896639
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-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 158922559
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
N-(3-carbamoylphenyl)-3-methyl-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160655859
3-amino-6-[4-[2-[4-(diethylamino)piperidin-1-yl]ethylsulfonyl]phenyl]-N-phenylpyrazine-2-carboxamide
CID 130228785

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen (CID 161457477) is 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(C(=O)Nc3ccccc3)n2)cc1)N1CCC(N(C)C)CC1.[H][H].[H][H].
What is the InChIKey of 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is WBISIMARSDRKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O.2H2/c1-19-26(27(33)29-23-8-6-5-7-9-23)30-25(18-28-19)22-12-10-21(11-13-22)20(2)32-16-14-24(15-17-32)31(3)4;;/h5-13,18,24H,2,14-17H2,1,3-4H3,(H,29,33);2*1H.
What are the key properties of 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 445.61 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 161457477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).