(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide

C20H23N3O5 — CID 110198235

IUPAC(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccc(OC)nc1OC
InChIInChI=1S/C20H23N3O5/c1-21-18(24)16-11-14(28-13-7-5-4-6-8-13)12-23(16)20(25)15-9-10-17(26-2)22-19(15)27-3/h4-10,14,16H,11-12H2,1-3H3,(H,21,24)/t14-,16-/m0/s1
InChIKeyBPEZJKIYNCYSQK-HOCLYGCPSA-N
MW385.42 g/mol
LogP1.51
Rot. Bonds6

About (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide

(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110198235) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110198235
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccc(OC)nc1OC
InChIInChI=1S/C20H23N3O5/c1-21-18(24)16-11-14(28-13-7-5-4-6-8-13)12-23(16)20(25)15-9-10-17(26-2)22-19(15)27-3/h4-10,14,16H,11-12H2,1-3H3,(H,21,24)/t14-,16-/m0/s1
InChIKeyBPEZJKIYNCYSQK-HOCLYGCPSA-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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Related Compounds

[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198448
(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198272
(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110196892
(2S,4S)-N-methyl-1-(6-methylpyridine-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198263
(2S,4S)-N-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198273
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198242
(2S,4S)-1-[2-(2-methoxyethoxy)acetyl]-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198236
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198401
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(2R,4S)-N-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide
CID 110876508

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide (CID 110198235) is (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccc(OC)nc1OC.
What is the InChIKey of (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is BPEZJKIYNCYSQK-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-21-18(24)16-11-14(28-13-7-5-4-6-8-13)12-23(16)20(25)15-9-10-17(26-2)22-19(15)27-3/h4-10,14,16H,11-12H2,1-3H3,(H,21,24)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-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-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).