(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C21H23N3O4 — CID 110199017

IUPAC(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)COc1ccccc1
InChIInChI=1S/C21H23N3O4/c25-20(14-27-16-5-2-1-3-6-16)24-13-18(28-17-7-4-10-22-12-17)11-19(24)21(26)23-15-8-9-15/h1-7,10,12,15,18-19H,8-9,11,13-14H2,(H,23,26)/t18-,19-/m0/s1
InChIKeyZGSBTWKYBUUGQS-OALUTQOASA-N
MW381.43 g/mol
LogP1.79
Rot. Bonds7

About (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110199017) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110199017
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)COc1ccccc1
InChIInChI=1S/C21H23N3O4/c25-20(14-27-16-5-2-1-3-6-16)24-13-18(28-17-7-4-10-22-12-17)11-19(24)21(26)23-15-8-9-15/h1-7,10,12,15,18-19H,8-9,11,13-14H2,(H,23,26)/t18-,19-/m0/s1
InChIKeyZGSBTWKYBUUGQS-OALUTQOASA-N
XLogP1.79
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-cyclopropyl-4-phenoxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 110198586
(2S,4S)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
(2S,4S)-N-cyclopropyl-1-[2-(4-fluorophenoxy)acetyl]-4-phenoxypyrrolidine-2-carboxamide
CID 110198565
(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198976
(2S,4S)-1-(4-cyanobenzoyl)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198987
(2S,4S)-1-(2-cyclohexylacetyl)-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198582
(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199024
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
2-(4-fluorophenoxy)-1-[(2S,4S)-4-pyridin-3-yloxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110198898
(2S,4S)-N-cyclopropyl-1-(isoquinoline-1-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198564
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110198593
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110199017) is (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)COc1ccccc1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is ZGSBTWKYBUUGQS-OALUTQOASA-N. The full InChI is InChI=1S/C21H23N3O4/c25-20(14-27-16-5-2-1-3-6-16)24-13-18(28-17-7-4-10-22-12-17)11-19(24)21(26)23-15-8-9-15/h1-7,10,12,15,18-19H,8-9,11,13-14H2,(H,23,26)/t18-,19-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110199017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).