(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide

C71H69N15O10 — CID 159827616

IUPAC(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cccnc4)cc3)o2)cc1.O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cccnc4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C38H36N8O5.C33H33N7O5/c47-33(21-25-5-1-17-39-23-25)45-19-3-7-31(45)35(49)41-29-13-9-27(10-14-29)37-43-44-38(51-37)28-11-15-30(16-12-28)42-36(50)32-8-4-20-46(32)34(48)22-26-6-2-18-40-24-26;1-21(41)39-17-3-6-27(39)30(43)35-25-12-8-23(9-13-25)32-37-38-33(45-32)24-10-14-26(15-11-24)36-31(44)28-7-4-18-40(28)29(42)19-22-5-2-16-34-20-22/h1-2,5-6,9-18,23-24,31-32H,3-4,7-8,19-22H2,(H,41,49)(H,42,50);2,5,8-16,20,27-28H,3-4,6-7,17-19H2,1H3,(H,35,43)(H,36,44)/t31-,32-;27-,28-/m00/s1
InChIKeyNNAVDHSHASQXSI-SCEPXPOXSA-N
MW1292.43 g/mol
LogP8.46
Rot. Bonds18

About (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 159827616) has the molecular formula C71H69N15O10 and a molecular weight of 1292.43 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
PubChem CID159827616
Molecular FormulaC71H69N15O10
Molecular Weight1292.43 g/mol
Exact Mass1291.54
IUPAC Name(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cccnc4)cc3)o2)cc1.O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cccnc4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)Cc1cccnc1
InChIInChI=1S/C38H36N8O5.C33H33N7O5/c47-33(21-25-5-1-17-39-23-25)45-19-3-7-31(45)35(49)41-29-13-9-27(10-14-29)37-43-44-38(51-37)28-11-15-30(16-12-28)42-36(50)32-8-4-20-46(32)34(48)22-26-6-2-18-40-24-26;1-21(41)39-17-3-6-27(39)30(43)35-25-12-8-23(9-13-25)32-37-38-33(45-32)24-10-14-26(15-11-24)36-31(44)28-7-4-18-40(28)29(42)19-22-5-2-16-34-20-22/h1-2,5-6,9-18,23-24,31-32H,3-4,7-8,19-22H2,(H,41,49)(H,42,50);2,5,8-16,20,27-28H,3-4,6-7,17-19H2,1H3,(H,35,43)(H,36,44)/t31-,32-;27-,28-/m00/s1
InChIKeyNNAVDHSHASQXSI-SCEPXPOXSA-N
XLogP8.46
TPSA314.15 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.43
LogP ≤ 58.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide (CID 159827616) is (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cccnc4)cc3)o2)cc1.O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cccnc4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)Cc1cccnc1.
What is the InChIKey of (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NNAVDHSHASQXSI-SCEPXPOXSA-N. The full InChI is InChI=1S/C38H36N8O5.C33H33N7O5/c47-33(21-25-5-1-17-39-23-25)45-19-3-7-31(45)35(49)41-29-13-9-27(10-14-29)37-43-44-38(51-37)28-11-15-30(16-12-28)42-36(50)32-8-4-20-46(32)34(48)22-26-6-2-18-40-24-26;1-21(41)39-17-3-6-27(39)30(43)35-25-12-8-23(9-13-25)32-37-38-33(45-32)24-10-14-26(15-11-24)36-31(44)28-7-4-18-40(28)29(42)19-22-5-2-16-34-20-22/h1-2,5-6,9-18,23-24,31-32H,3-4,7-8,19-22H2,(H,41,49)(H,42,50);2,5,8-16,20,27-28H,3-4,6-7,17-19H2,1H3,(H,35,43)(H,36,44)/t31-,32-;27-,28-/m00/s1.
What are the key properties of (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 1292.43 g/mol, XLogP of 8.46, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-3-ylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 159827616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).