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

C22H25N3O5 — CID 110198992

IUPAC(2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)NC2CC2)c(OC)c1
InChIInChI=1S/C22H25N3O5/c1-28-15-7-8-18(20(11-15)29-2)22(27)25-13-17(30-16-4-3-9-23-12-16)10-19(25)21(26)24-14-5-6-14/h3-4,7-9,11-12,14,17,19H,5-6,10,13H2,1-2H3,(H,24,26)/t17-,19-/m0/s1
InChIKeyIRMHBYGEJRGUIV-HKUYNNGSSA-N
MW411.46 g/mol
LogP2.04
Rot. Bonds7

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

(2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198992) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198992
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name(2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)NC2CC2)c(OC)c1
InChIInChI=1S/C22H25N3O5/c1-28-15-7-8-18(20(11-15)29-2)22(27)25-13-17(30-16-4-3-9-23-12-16)10-19(25)21(26)24-14-5-6-14/h3-4,7-9,11-12,14,17,19H,5-6,10,13H2,1-2H3,(H,24,26)/t17-,19-/m0/s1
InChIKeyIRMHBYGEJRGUIV-HKUYNNGSSA-N
XLogP2.04
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198992) is (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is COc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)NC2CC2)c(OC)c1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is IRMHBYGEJRGUIV-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-28-15-7-8-18(20(11-15)29-2)22(27)25-13-17(30-16-4-3-9-23-12-16)10-19(25)21(26)24-14-5-6-14/h3-4,7-9,11-12,14,17,19H,5-6,10,13H2,1-2H3,(H,24,26)/t17-,19-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-(2,4-dimethoxybenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).