(2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide

C21H32N4O3 — CID 166799248

IUPAC(2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide
SMILESC[C@H]1CCC1N(C(=O)[C@H]1CCCN1)C(C(=O)NCC(C)(C)O)c1cccnc1
InChIInChI=1S/C21H32N4O3/c1-14-8-9-17(14)25(20(27)16-7-5-11-23-16)18(15-6-4-10-22-12-15)19(26)24-13-21(2,3)28/h4,6,10,12,14,16-18,23,28H,5,7-9,11,13H2,1-3H3,(H,24,26)/t14-,16+,17?,18?/m0/s1
InChIKeyXHYIPSACHXEMDF-VFPGXZCRSA-N
MW388.51 g/mol
LogP1.39
Rot. Bonds7

About (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide

(2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide (PubChem CID 166799248) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide
PubChem CID166799248
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name(2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide
SMILESC[C@H]1CCC1N(C(=O)[C@H]1CCCN1)C(C(=O)NCC(C)(C)O)c1cccnc1
InChIInChI=1S/C21H32N4O3/c1-14-8-9-17(14)25(20(27)16-7-5-11-23-16)18(15-6-4-10-22-12-15)19(26)24-13-21(2,3)28/h4,6,10,12,14,16-18,23,28H,5,7-9,11,13H2,1-3H3,(H,24,26)/t14-,16+,17?,18?/m0/s1
InChIKeyXHYIPSACHXEMDF-VFPGXZCRSA-N
XLogP1.39
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894331
(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040279
(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040656
N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894143
N-(4-tert-butylphenyl)-N-[2-(3-methoxypropylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894262
(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 166040275
N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 166041009
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
2-[4-tert-butyl-N-(pyrrolidin-2-ylmethoxymethyl)anilino]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide;molecular hydrogen
CID 156892771
N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040473
(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide (CID 166799248) is (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide is C[C@H]1CCC1N(C(=O)[C@H]1CCCN1)C(C(=O)NCC(C)(C)O)c1cccnc1.
What is the InChIKey of (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide?
The InChIKey is XHYIPSACHXEMDF-VFPGXZCRSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-14-8-9-17(14)25(20(27)16-7-5-11-23-16)18(15-6-4-10-22-12-15)19(26)24-13-21(2,3)28/h4,6,10,12,14,16-18,23,28H,5,7-9,11,13H2,1-3H3,(H,24,26)/t14-,16+,17?,18?/m0/s1.
What are the key properties of (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide?
(2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2S)-2-methylcyclobutyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166799248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).