(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

C22H27N3O2 — CID 110087414

IUPAC(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)N(C)CCc2ccncc2)[C@@H]1c1ccccc1C
InChIInChI=1S/C22H27N3O2/c1-4-25-20(26)15-19(21(25)18-8-6-5-7-16(18)2)22(27)24(3)14-11-17-9-12-23-13-10-17/h5-10,12-13,19,21H,4,11,14-15H2,1-3H3/t19-,21+/m1/s1
InChIKeyVDSGCTFMBWXOOG-CTNGQTDRSA-N
MW365.48 g/mol
LogP3.00
Rot. Bonds6

About (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 110087414) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
PubChem CID110087414
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)N(C)CCc2ccncc2)[C@@H]1c1ccccc1C
InChIInChI=1S/C22H27N3O2/c1-4-25-20(26)15-19(21(25)18-8-6-5-7-16(18)2)22(27)24(3)14-11-17-9-12-23-13-10-17/h5-10,12-13,19,21H,4,11,14-15H2,1-3H3/t19-,21+/m1/s1
InChIKeyVDSGCTFMBWXOOG-CTNGQTDRSA-N
XLogP3.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110087546
N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113184178
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186754
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086882
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823
1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113189751
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138093
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 110087023

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (CID 110087414) is (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)N(C)CCc2ccncc2)[C@@H]1c1ccccc1C.
What is the InChIKey of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is VDSGCTFMBWXOOG-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-25-20(26)15-19(21(25)18-8-6-5-7-16(18)2)22(27)24(3)14-11-17-9-12-23-13-10-17/h5-10,12-13,19,21H,4,11,14-15H2,1-3H3/t19-,21+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110087414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).