(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide

C18H21N3O3 — CID 128987474

IUPAC(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnccc2Oc2ccccc2)N(C)C1
InChIInChI=1S/C18H21N3O3/c1-21-12-14(23-2)10-16(21)18(22)20-15-11-19-9-8-17(15)24-13-6-4-3-5-7-13/h3-9,11,14,16H,10,12H2,1-2H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyOQIZHHDWXPCREG-HOCLYGCPSA-N
MW327.38 g/mol
LogP2.53
Rot. Bonds5

About (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 128987474) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID128987474
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnccc2Oc2ccccc2)N(C)C1
InChIInChI=1S/C18H21N3O3/c1-21-12-14(23-2)10-16(21)18(22)20-15-11-19-9-8-17(15)24-13-6-4-3-5-7-13/h3-9,11,14,16H,10,12H2,1-2H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyOQIZHHDWXPCREG-HOCLYGCPSA-N
XLogP2.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 128977951
N-(4-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 119866026
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-phenoxy-3-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940223
(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 128975610
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128987454
4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 51103032
(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide
CID 95149640
(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide
CID 44513483
N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119866030
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
(3S)-4-benzyl-N-(4-methoxy-3-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 97064438

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide (CID 128987474) is (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2cnccc2Oc2ccccc2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is OQIZHHDWXPCREG-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21-12-14(23-2)10-16(21)18(22)20-15-11-19-9-8-17(15)24-13-6-4-3-5-7-13/h3-9,11,14,16H,10,12H2,1-2H3,(H,20,22)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 128987474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).