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

C19H21N3O5 — CID 110199068

IUPAC(2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(N)=O)c(OC)c1
InChIInChI=1S/C19H21N3O5/c1-25-12-5-6-15(17(9-12)26-2)19(24)22-11-14(8-16(22)18(20)23)27-13-4-3-7-21-10-13/h3-7,9-10,14,16H,8,11H2,1-2H3,(H2,20,23)/t14-,16-/m0/s1
InChIKeyXZULUULAPRHPIU-HOCLYGCPSA-N
MW371.39 g/mol
LogP1.25
Rot. Bonds6

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

(2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110199068) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110199068
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name(2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(N)=O)c(OC)c1
InChIInChI=1S/C19H21N3O5/c1-25-12-5-6-15(17(9-12)26-2)19(24)22-11-14(8-16(22)18(20)23)27-13-4-3-7-21-10-13/h3-7,9-10,14,16H,8,11H2,1-2H3,(H2,20,23)/t14-,16-/m0/s1
InChIKeyXZULUULAPRHPIU-HOCLYGCPSA-N
XLogP1.25
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.25
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)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110199068) is (2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is COc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(N)=O)c(OC)c1.
What is the InChIKey of (2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is XZULUULAPRHPIU-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-25-12-5-6-15(17(9-12)26-2)19(24)22-11-14(8-16(22)18(20)23)27-13-4-3-7-21-10-13/h3-7,9-10,14,16H,8,11H2,1-2H3,(H2,20,23)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.25, 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)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110199068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).