N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide

C100H98N26O15S — CID 157393330

IUPACN-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide
SMILESCCC(C)C(NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1.CSCC[C@H](NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1.O=C(NCC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)c1ccncc1.O=C(NCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnccn1)c1ccncc1.O=C(NCC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)c1ccncc1
InChIInChI=1S/C23H20N6O3.2C21H19N5O3.C18H21N5O3.C17H19N5O3S/c30-21(14-28-22(31)15-5-7-24-8-6-15)19(29-23(32)20-13-25-9-10-26-20)11-16-12-27-18-4-2-1-3-17(16)18;2*27-19(14-25-20(28)16-6-8-22-9-7-16)17(12-15-4-2-1-3-5-15)26-21(29)18-13-23-10-11-24-18;1-3-12(2)16(23-18(26)14-10-20-8-9-21-14)15(24)11-22-17(25)13-4-6-19-7-5-13;1-26-9-4-13(22-17(25)14-10-19-7-8-20-14)15(23)11-21-16(24)12-2-5-18-6-3-12/h1-10,12-13,19,27H,11,14H2,(H,28,31)(H,29,32);2*1-11,13,17H,12,14H2,(H,25,28)(H,26,29);4-10,12,16H,3,11H2,1-2H3,(H,22,25)(H,23,26);2-3,5-8,10,13H,4,9,11H2,1H3,(H,21,24)(H,22,25)/t19-;17-;;;13-/m00..0/s1
InChIKeyBMGSUQQTYVLSFV-REQQQBAFSA-N
MW1936.12 g/mol
LogP5.85
Rot. Bonds41

About N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide

N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide (PubChem CID 157393330) has the molecular formula C100H98N26O15S and a molecular weight of 1936.12 g/mol. Its IUPAC name is N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide
PubChem CID157393330
Molecular FormulaC100H98N26O15S
Molecular Weight1936.12 g/mol
Exact Mass1934.74
IUPAC NameN-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide
SMILESCCC(C)C(NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1.CSCC[C@H](NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1.O=C(NCC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)c1ccncc1.O=C(NCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnccn1)c1ccncc1.O=C(NCC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)c1ccncc1
InChIInChI=1S/C23H20N6O3.2C21H19N5O3.C18H21N5O3.C17H19N5O3S/c30-21(14-28-22(31)15-5-7-24-8-6-15)19(29-23(32)20-13-25-9-10-26-20)11-16-12-27-18-4-2-1-3-17(16)18;2*27-19(14-25-20(28)16-6-8-22-9-7-16)17(12-15-4-2-1-3-5-15)26-21(29)18-13-23-10-11-24-18;1-3-12(2)16(23-18(26)14-10-20-8-9-21-14)15(24)11-22-17(25)13-4-6-19-7-5-13;1-26-9-4-13(22-17(25)14-10-19-7-8-20-14)15(23)11-21-16(24)12-2-5-18-6-3-12/h1-10,12-13,19,27H,11,14H2,(H,28,31)(H,29,32);2*1-11,13,17H,12,14H2,(H,25,28)(H,26,29);4-10,12,16H,3,11H2,1-2H3,(H,22,25)(H,23,26);2-3,5-8,10,13H,4,9,11H2,1H3,(H,21,24)(H,22,25)/t19-;17-;;;13-/m00..0/s1
InChIKeyBMGSUQQTYVLSFV-REQQQBAFSA-N
XLogP5.85
TPSA585.49 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001936.12
LogP ≤ 55.85
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide (CID 157393330) is N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide is CCC(C)C(NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1.CSCC[C@H](NC(=O)c1cnccn1)C(=O)CNC(=O)c1ccncc1.O=C(NCC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)c1ccncc1.O=C(NCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnccn1)c1ccncc1.O=C(NCC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)c1ccncc1.
What is the InChIKey of N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide?
The InChIKey is BMGSUQQTYVLSFV-REQQQBAFSA-N. The full InChI is InChI=1S/C23H20N6O3.2C21H19N5O3.C18H21N5O3.C17H19N5O3S/c30-21(14-28-22(31)15-5-7-24-8-6-15)19(29-23(32)20-13-25-9-10-26-20)11-16-12-27-18-4-2-1-3-17(16)18;2*27-19(14-25-20(28)16-6-8-22-9-7-16)17(12-15-4-2-1-3-5-15)26-21(29)18-13-23-10-11-24-18;1-3-12(2)16(23-18(26)14-10-20-8-9-21-14)15(24)11-22-17(25)13-4-6-19-7-5-13;1-26-9-4-13(22-17(25)14-10-19-7-8-20-14)15(23)11-21-16(24)12-2-5-18-6-3-12/h1-10,12-13,19,27H,11,14H2,(H,28,31)(H,29,32);2*1-11,13,17H,12,14H2,(H,25,28)(H,26,29);4-10,12,16H,3,11H2,1-2H3,(H,22,25)(H,23,26);2-3,5-8,10,13H,4,9,11H2,1H3,(H,21,24)(H,22,25)/t19-;17-;;;13-/m00..0/s1.
What are the key properties of N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide has a molecular weight of 1936.12 g/mol, XLogP of 5.85, 41 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-indol-3-yl)-3-oxo-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[4-methyl-2-oxo-1-(pyridine-4-carbonylamino)hexan-3-yl]pyrazine-2-carboxamide;N-[(3S)-5-methylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)pentan-3-yl]pyrazine-2-carboxamide;N-[(2S)-3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide;N-[3-oxo-1-phenyl-4-(pyridine-4-carbonylamino)butan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 157393330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).