3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

C106H116BrF8N29O9 — CID 173100737

IUPAC3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)NC[C@@H]3CCNC3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3F)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccccc3Br)c2)nc1C(=O)N[C@H]1CCCNC1.O=C(N[C@H]1CCCNC1)c1cnccn1
InChIInChI=1S/2C25H24F4N6O2.C24H25BrN6O2.C22H29N7O2.C10H14N4O/c26-20-16(6-2-8-18(20)25(27,28)29)11-33-23(36)15-5-1-4-14(10-15)19-13-32-22(30)21(35-19)24(37)34-17-7-3-9-31-12-17;26-17-7-6-16(19(10-17)25(27,28)29)11-33-23(36)15-4-1-3-14(9-15)20-13-32-22(30)21(35-20)24(37)34-18-5-2-8-31-12-18;25-19-9-2-1-5-17(19)12-29-23(32)16-7-3-6-15(11-16)20-14-28-22(26)21(31-20)24(33)30-18-8-4-10-27-13-18;23-20-19(22(31)28-17-5-2-7-24-12-17)29-18(13-26-20)15-3-1-4-16(9-15)21(30)27-11-14-6-8-25-10-14;15-10(9-7-12-4-5-13-9)14-8-2-1-3-11-6-8/h1-2,4-6,8,10,13,17,31H,3,7,9,11-12H2,(H2,30,32)(H,33,36)(H,34,37);1,3-4,6-7,9-10,13,18,31H,2,5,8,11-12H2,(H2,30,32)(H,33,36)(H,34,37);1-3,5-7,9,11,14,18,27H,4,8,10,12-13H2,(H2,26,28)(H,29,32)(H,30,33);1,3-4,9,13-14,17,24-25H,2,5-8,10-12H2,(H2,23,26)(H,27,30)(H,28,31);4-5,7-8,11H,1-3,6H2,(H,14,15)/t17-;2*18-;14-,17+;8-/m00010/s1
InChIKeyMOACVJMIAYWRQW-ICKICFBRSA-N
MW2172.18 g/mol
LogP10.00
Rot. Bonds26

About 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 173100737) has the molecular formula C106H116BrF8N29O9 and a molecular weight of 2172.18 g/mol. Its IUPAC name is 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID173100737
Molecular FormulaC106H116BrF8N29O9
Molecular Weight2172.18 g/mol
Exact Mass2169.86
IUPAC Name3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)NC[C@@H]3CCNC3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3F)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccccc3Br)c2)nc1C(=O)N[C@H]1CCCNC1.O=C(N[C@H]1CCCNC1)c1cnccn1
InChIInChI=1S/2C25H24F4N6O2.C24H25BrN6O2.C22H29N7O2.C10H14N4O/c26-20-16(6-2-8-18(20)25(27,28)29)11-33-23(36)15-5-1-4-14(10-15)19-13-32-22(30)21(35-19)24(37)34-17-7-3-9-31-12-17;26-17-7-6-16(19(10-17)25(27,28)29)11-33-23(36)15-4-1-3-14(9-15)20-13-32-22(30)21(35-20)24(37)34-18-5-2-8-31-12-18;25-19-9-2-1-5-17(19)12-29-23(32)16-7-3-6-15(11-16)20-14-28-22(26)21(31-20)24(33)30-18-8-4-10-27-13-18;23-20-19(22(31)28-17-5-2-7-24-12-17)29-18(13-26-20)15-3-1-4-16(9-15)21(30)27-11-14-6-8-25-10-14;15-10(9-7-12-4-5-13-9)14-8-2-1-3-11-6-8/h1-2,4-6,8,10,13,17,31H,3,7,9,11-12H2,(H2,30,32)(H,33,36)(H,34,37);1,3-4,6-7,9-10,13,18,31H,2,5,8,11-12H2,(H2,30,32)(H,33,36)(H,34,37);1-3,5-7,9,11,14,18,27H,4,8,10,12-13H2,(H2,26,28)(H,29,32)(H,30,33);1,3-4,9,13-14,17,24-25H,2,5-8,10-12H2,(H2,23,26)(H,27,30)(H,28,31);4-5,7-8,11H,1-3,6H2,(H,14,15)/t17-;2*18-;14-,17+;8-/m00010/s1
InChIKeyMOACVJMIAYWRQW-ICKICFBRSA-N
XLogP10.00
TPSA567.06 Ų
H-Bond Donors19
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002172.18
LogP ≤ 510.00
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1029

Analyze 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (CID 173100737) is 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(C(=O)NC[C@@H]3CCNC3)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3F)c2)nc1C(=O)N[C@H]1CCCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccccc3Br)c2)nc1C(=O)N[C@H]1CCCNC1.O=C(N[C@H]1CCCNC1)c1cnccn1.
What is the InChIKey of 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is MOACVJMIAYWRQW-ICKICFBRSA-N. The full InChI is InChI=1S/2C25H24F4N6O2.C24H25BrN6O2.C22H29N7O2.C10H14N4O/c26-20-16(6-2-8-18(20)25(27,28)29)11-33-23(36)15-5-1-4-14(10-15)19-13-32-22(30)21(35-19)24(37)34-17-7-3-9-31-12-17;26-17-7-6-16(19(10-17)25(27,28)29)11-33-23(36)15-4-1-3-14(9-15)20-13-32-22(30)21(35-20)24(37)34-18-5-2-8-31-12-18;25-19-9-2-1-5-17(19)12-29-23(32)16-7-3-6-15(11-16)20-14-28-22(26)21(31-20)24(33)30-18-8-4-10-27-13-18;23-20-19(22(31)28-17-5-2-7-24-12-17)29-18(13-26-20)15-3-1-4-16(9-15)21(30)27-11-14-6-8-25-10-14;15-10(9-7-12-4-5-13-9)14-8-2-1-3-11-6-8/h1-2,4-6,8,10,13,17,31H,3,7,9,11-12H2,(H2,30,32)(H,33,36)(H,34,37);1,3-4,6-7,9-10,13,18,31H,2,5,8,11-12H2,(H2,30,32)(H,33,36)(H,34,37);1-3,5-7,9,11,14,18,27H,4,8,10,12-13H2,(H2,26,28)(H,29,32)(H,30,33);1,3-4,9,13-14,17,24-25H,2,5-8,10-12H2,(H2,23,26)(H,27,30)(H,28,31);4-5,7-8,11H,1-3,6H2,(H,14,15)/t17-;2*18-;14-,17+;8-/m00010/s1.
What are the key properties of 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 2172.18 g/mol, XLogP of 10.00, 26 rotatable bonds, 19 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[(2-bromophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide;3-amino-N-[(3S)-piperidin-3-yl]-6-[3-[[(3R)-pyrrolidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide;N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 173100737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).