(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C16H19N5O3 — CID 129005977

IUPAC(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1noc([C@H]2C[C@@H](O)CN2C(=O)Nc2cnc3c(c2)CCC3)n1
InChIInChI=1S/C16H19N5O3/c1-9-18-15(24-20-9)14-6-12(22)8-21(14)16(23)19-11-5-10-3-2-4-13(10)17-7-11/h5,7,12,14,22H,2-4,6,8H2,1H3,(H,19,23)/t12-,14-/m1/s1
InChIKeyOODUDEPRMVMIGQ-TZMCWYRMSA-N
MW329.36 g/mol
LogP1.60
Rot. Bonds2

About (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 129005977) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID129005977
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1noc([C@H]2C[C@@H](O)CN2C(=O)Nc2cnc3c(c2)CCC3)n1
InChIInChI=1S/C16H19N5O3/c1-9-18-15(24-20-9)14-6-12(22)8-21(14)16(23)19-11-5-10-3-2-4-13(10)17-7-11/h5,7,12,14,22H,2-4,6,8H2,1H3,(H,19,23)/t12-,14-/m1/s1
InChIKeyOODUDEPRMVMIGQ-TZMCWYRMSA-N
XLogP1.60
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4S)-4-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128998784
(2-tert-butyl-1,3-thiazol-5-yl)-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128997575
(3-chloro-5-fluorophenyl)-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128967890
(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 129326631
[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 129325718
(2S)-2-cyclopropyl-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 129473001
1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 129344895
1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 129004432
1-benzothiophen-3-yl-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129004452
3-(2,4-difluorophenyl)-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 128967064
(3R)-3-(2,4-difluorophenyl)-1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 129325804
(E)-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)but-3-en-1-one
CID 128966039

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 129005977) is (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1noc([C@H]2C[C@@H](O)CN2C(=O)Nc2cnc3c(c2)CCC3)n1.
What is the InChIKey of (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is OODUDEPRMVMIGQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-9-18-15(24-20-9)14-6-12(22)8-21(14)16(23)19-11-5-10-3-2-4-13(10)17-7-11/h5,7,12,14,22H,2-4,6,8H2,1H3,(H,19,23)/t12-,14-/m1/s1.
What are the key properties of (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129005977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).