5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide

C21H25N5O3 — CID 123406922

IUPAC5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)C1NN=C(c2cnc3c(c2NC2[C@@H]4CC5C[C@H]2CC(O)(C5)C4)C=CC3)O1
InChIInChI=1S/C21H25N5O3/c22-18(27)20-26-25-19(29-20)14-9-23-15-3-1-2-13(15)17(14)24-16-11-4-10-5-12(16)8-21(28,6-10)7-11/h1-2,9-12,16,20,26,28H,3-8H2,(H2,22,27)(H,23,24)/t10?,11-,12+,16?,20?,21?
InChIKeyWJMKMKOZEFXSLR-SZUNUVEHSA-N
MW395.46 g/mol
LogP1.10
Rot. Bonds4

About 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide

5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide (PubChem CID 123406922) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide
PubChem CID123406922
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)C1NN=C(c2cnc3c(c2NC2[C@@H]4CC5C[C@H]2CC(O)(C5)C4)C=CC3)O1
InChIInChI=1S/C21H25N5O3/c22-18(27)20-26-25-19(29-20)14-9-23-15-3-1-2-13(15)17(14)24-16-11-4-10-5-12(16)8-21(28,6-10)7-11/h1-2,9-12,16,20,26,28H,3-8H2,(H2,22,27)(H,23,24)/t10?,11-,12+,16?,20?,21?
InChIKeyWJMKMKOZEFXSLR-SZUNUVEHSA-N
XLogP1.10
TPSA121.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide (CID 123406922) is 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide is NC(=O)C1NN=C(c2cnc3c(c2NC2[C@@H]4CC5C[C@H]2CC(O)(C5)C4)C=CC3)O1.
What is the InChIKey of 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WJMKMKOZEFXSLR-SZUNUVEHSA-N. The full InChI is InChI=1S/C21H25N5O3/c22-18(27)20-26-25-19(29-20)14-9-23-15-3-1-2-13(15)17(14)24-16-11-4-10-5-12(16)8-21(28,6-10)7-11/h1-2,9-12,16,20,26,28H,3-8H2,(H2,22,27)(H,23,24)/t10?,11-,12+,16?,20?,21?.
What are the key properties of 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide?
5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 123406922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).