(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one

C98H109N11O13S4 — CID 161412423

IUPAC(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
SMILESNC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1
InChIInChI=1S/2C14H16N2O2.2C14H16N2OS.C14H15NO3.2C14H15NO2S/c15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;2*16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;2*1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t12-;13-;12-;13-;2*12-;13-/m0001110/s1
InChIKeyVVQNZKITGCPJAB-OXIXZEITSA-N
MW1777.28 g/mol
LogP15.41
Rot. Bonds42

About (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one

(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one (PubChem CID 161412423) has the molecular formula C98H109N11O13S4 and a molecular weight of 1777.28 g/mol. Its IUPAC name is (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one.

Molecular Properties

Compound Name(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
PubChem CID161412423
Molecular FormulaC98H109N11O13S4
Molecular Weight1777.28 g/mol
Exact Mass1775.71
IUPAC Name(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
SMILESNC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1
InChIInChI=1S/2C14H16N2O2.2C14H16N2OS.C14H15NO3.2C14H15NO2S/c15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;2*16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;2*1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t12-;13-;12-;13-;2*12-;13-/m0001110/s1
InChIKeyVVQNZKITGCPJAB-OXIXZEITSA-N
XLogP15.41
TPSA413.91 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds42
Heavy Atoms126
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001777.28
LogP ≤ 515.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
The IUPAC name of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one (CID 161412423) is (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one.
What is the SMILES notation for (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
The canonical SMILES for (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one is NC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1.
What is the InChIKey of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
The InChIKey is VVQNZKITGCPJAB-OXIXZEITSA-N. The full InChI is InChI=1S/2C14H16N2O2.2C14H16N2OS.C14H15NO3.2C14H15NO2S/c15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;2*16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;2*1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t12-;13-;12-;13-;2*12-;13-/m0001110/s1.
What are the key properties of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one has a molecular weight of 1777.28 g/mol, XLogP of 15.41, 42 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one is sourced from PubChem (CID 161412423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).