(2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C20H23N3O5 — CID 110198729

IUPAC(2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H23N3O5/c1-21-19(24)17-9-15(28-14-5-4-8-22-11-14)12-23(17)20(25)16-7-6-13(26-2)10-18(16)27-3/h4-8,10-11,15,17H,9,12H2,1-3H3,(H,21,24)/t15-,17-/m0/s1
InChIKeyRVJGDUGXYVLNFQ-RDJZCZTQSA-N
MW385.42 g/mol
LogP1.51
Rot. Bonds6

About (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198729) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198729
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H23N3O5/c1-21-19(24)17-9-15(28-14-5-4-8-22-11-14)12-23(17)20(25)16-7-6-13(26-2)10-18(16)27-3/h4-8,10-11,15,17H,9,12H2,1-3H3,(H,21,24)/t15-,17-/m0/s1
InChIKeyRVJGDUGXYVLNFQ-RDJZCZTQSA-N
XLogP1.51
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198729) is (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is RVJGDUGXYVLNFQ-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-21-19(24)17-9-15(28-14-5-4-8-22-11-14)12-23(17)20(25)16-7-6-13(26-2)10-18(16)27-3/h4-8,10-11,15,17H,9,12H2,1-3H3,(H,21,24)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(2,4-dimethoxybenzoyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).