(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C21H25N3O3 — CID 110087618

IUPAC(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(C)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-5-7-16(12-15)20-18(13-19(25)24(20)10-11-27-2)21(26)23-14-17-8-3-4-9-22-17/h3-9,12,18,20H,10-11,13-14H2,1-2H3,(H,23,26)/t18-,20+/m1/s1
InChIKeySCOIWHDGTQXKFJ-QUCCMNQESA-N
MW367.45 g/mol
LogP2.24
Rot. Bonds7

About (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 110087618) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID110087618
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(C)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-5-7-16(12-15)20-18(13-19(25)24(20)10-11-27-2)21(26)23-14-17-8-3-4-9-22-17/h3-9,12,18,20H,10-11,13-14H2,1-2H3,(H,23,26)/t18-,20+/m1/s1
InChIKeySCOIWHDGTQXKFJ-QUCCMNQESA-N
XLogP2.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110087619
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 110087574
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
(2R,3R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087426
2-(3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 56827365
(2S,3S)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 138012998
(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087249
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 110087023
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 110087618) is (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is COCCN1C(=O)C[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1cccc(C)c1.
What is the InChIKey of (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SCOIWHDGTQXKFJ-QUCCMNQESA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-5-7-16(12-15)20-18(13-19(25)24(20)10-11-27-2)21(26)23-14-17-8-3-4-9-22-17/h3-9,12,18,20H,10-11,13-14H2,1-2H3,(H,23,26)/t18-,20+/m1/s1.
What are the key properties of (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110087618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).