(2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide

C16H20N6O3 — CID 70784178

IUPAC(2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H20N6O3/c1-18-16(24)12-7-11(17)9-22(12)14(23)5-4-13-20-15(21-25-13)10-3-2-6-19-8-10/h2-3,6,8,11-12H,4-5,7,9,17H2,1H3,(H,18,24)/t11-,12+/m1/s1
InChIKeyDTSDXUMKCJPUPL-NEPJUHHUSA-N
MW344.38 g/mol
LogP-0.26
Rot. Bonds5

About (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 70784178) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID70784178
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name(2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C16H20N6O3/c1-18-16(24)12-7-11(17)9-22(12)14(23)5-4-13-20-15(21-25-13)10-3-2-6-19-8-10/h2-3,6,8,11-12H,4-5,7,9,17H2,1H3,(H,18,24)/t11-,12+/m1/s1
InChIKeyDTSDXUMKCJPUPL-NEPJUHHUSA-N
XLogP-0.26
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4S)-4-amino-N-ethyl-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 70764212
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55622779
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 47027058
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70729423
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86981275
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55742229
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55622804
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
N-propan-2-yl-2-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 55622853
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide (CID 70784178) is (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCc1nc(-c2cccnc2)no1.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is DTSDXUMKCJPUPL-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-18-16(24)12-7-11(17)9-22(12)14(23)5-4-13-20-15(21-25-13)10-3-2-6-19-8-10/h2-3,6,8,11-12H,4-5,7,9,17H2,1H3,(H,18,24)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70784178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).