3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen

C80H96N22O7 — CID 159181500

IUPAC3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccco2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2cncnc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H30N6O2.C23H24N6O2.C15H12N6O.C15H12N4O2.9H2/c28-25-24(26(34)30-21-7-2-1-3-8-21)31-23(17-29-25)19-10-12-20(13-11-19)27(35)33-16-6-9-22(33)18-32-14-4-5-15-32;24-21-20(22(30)27-18-5-2-1-3-6-18)28-19(15-26-21)16-7-9-17(10-8-16)23(31)29-13-4-11-25-12-14-29;16-14-13(15(22)20-11-4-2-1-3-5-11)21-12(8-19-14)10-6-17-9-18-7-10;16-14-13(15(20)18-10-5-2-1-3-6-10)19-11(9-17-14)12-7-4-8-21-12;;;;;;;;;/h1-3,7-8,10-13,17,22H,4-6,9,14-16,18H2,(H2,28,29)(H,30,34);1-3,5-10,15,25H,4,11-14H2,(H2,24,26)(H,27,30);1-9H,(H2,16,19)(H,20,22);1-9H,(H2,16,17)(H,18,20);9*1H/t22-;;;;;;;;;;;;/m1............/s1
InChIKeyKMYJHSQEOFVRJS-GRLOYJCPSA-N
MW1477.79 g/mol
LogP12.65
Rot. Bonds16

About 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen

3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen (PubChem CID 159181500) has the molecular formula C80H96N22O7 and a molecular weight of 1477.79 g/mol. Its IUPAC name is 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen
PubChem CID159181500
Molecular FormulaC80H96N22O7
Molecular Weight1477.79 g/mol
Exact Mass1476.78
IUPAC Name3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccco2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2cncnc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H30N6O2.C23H24N6O2.C15H12N6O.C15H12N4O2.9H2/c28-25-24(26(34)30-21-7-2-1-3-8-21)31-23(17-29-25)19-10-12-20(13-11-19)27(35)33-16-6-9-22(33)18-32-14-4-5-15-32;24-21-20(22(30)27-18-5-2-1-3-6-18)28-19(15-26-21)16-7-9-17(10-8-16)23(31)29-13-4-11-25-12-14-29;16-14-13(15(22)20-11-4-2-1-3-5-11)21-12(8-19-14)10-6-17-9-18-7-10;16-14-13(15(20)18-10-5-2-1-3-6-10)19-11(9-17-14)12-7-4-8-21-12;;;;;;;;;/h1-3,7-8,10-13,17,22H,4-6,9,14-16,18H2,(H2,28,29)(H,30,34);1-3,5-10,15,25H,4,11-14H2,(H2,24,26)(H,27,30);1-9H,(H2,16,19)(H,20,22);1-9H,(H2,16,17)(H,18,20);9*1H/t22-;;;;;;;;;;;;/m1............/s1
InChIKeyKMYJHSQEOFVRJS-GRLOYJCPSA-N
XLogP12.65
TPSA418.41 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001477.79
LogP ≤ 512.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen (CID 159181500) is 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen is Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2ccco2)nc1C(=O)Nc1ccccc1.Nc1ncc(-c2cncnc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is KMYJHSQEOFVRJS-GRLOYJCPSA-N. The full InChI is InChI=1S/C27H30N6O2.C23H24N6O2.C15H12N6O.C15H12N4O2.9H2/c28-25-24(26(34)30-21-7-2-1-3-8-21)31-23(17-29-25)19-10-12-20(13-11-19)27(35)33-16-6-9-22(33)18-32-14-4-5-15-32;24-21-20(22(30)27-18-5-2-1-3-6-18)28-19(15-26-21)16-7-9-17(10-8-16)23(31)29-13-4-11-25-12-14-29;16-14-13(15(22)20-11-4-2-1-3-5-11)21-12(8-19-14)10-6-17-9-18-7-10;16-14-13(15(20)18-10-5-2-1-3-6-10)19-11(9-17-14)12-7-4-8-21-12;;;;;;;;;/h1-3,7-8,10-13,17,22H,4-6,9,14-16,18H2,(H2,28,29)(H,30,34);1-3,5-10,15,25H,4,11-14H2,(H2,24,26)(H,27,30);1-9H,(H2,16,19)(H,20,22);1-9H,(H2,16,17)(H,18,20);9*1H/t22-;;;;;;;;;;;;/m1............/s1.
What are the key properties of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen?
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1477.79 g/mol, XLogP of 12.65, 16 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;3-amino-6-(furan-2-yl)-N-phenylpyrazine-2-carboxamide;3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide;3-amino-N-phenyl-6-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159181500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).