(3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide

C19H23N3O4 — CID 72857558

IUPAC(3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)O[C@H]1CN(C(=O)Nc2ccccc2Oc2cccnc2)C[C@@H]1O
InChIInChI=1S/C19H23N3O4/c1-13(2)25-18-12-22(11-16(18)23)19(24)21-15-7-3-4-8-17(15)26-14-6-5-9-20-10-14/h3-10,13,16,18,23H,11-12H2,1-2H3,(H,21,24)/t16-,18-/m0/s1
InChIKeyZXEMTFYOYGSWTC-WMZOPIPTSA-N
MW357.41 g/mol
LogP2.88
Rot. Bonds5

About (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide

(3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 72857558) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
PubChem CID72857558
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)O[C@H]1CN(C(=O)Nc2ccccc2Oc2cccnc2)C[C@@H]1O
InChIInChI=1S/C19H23N3O4/c1-13(2)25-18-12-22(11-16(18)23)19(24)21-15-7-3-4-8-17(15)26-14-6-5-9-20-10-14/h3-10,13,16,18,23H,11-12H2,1-2H3,(H,21,24)/t16-,18-/m0/s1
InChIKeyZXEMTFYOYGSWTC-WMZOPIPTSA-N
XLogP2.88
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
CID 156608499
3-hydroxy-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 156608806
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45185070
2-cyano-N-(2-pyridin-3-yloxyphenyl)acetamide
CID 168521073
1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45171721
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 26408124
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128
1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
CID 125160536

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide (CID 72857558) is (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide is CC(C)O[C@H]1CN(C(=O)Nc2ccccc2Oc2cccnc2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is ZXEMTFYOYGSWTC-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(2)25-18-12-22(11-16(18)23)19(24)21-15-7-3-4-8-17(15)26-14-6-5-9-20-10-14/h3-10,13,16,18,23H,11-12H2,1-2H3,(H,21,24)/t16-,18-/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
(3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-4-propan-2-yloxy-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72857558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).