N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide

C21H24N4O2 — CID 165157829

IUPACN-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(C#N)c(-c2cc(NC(=O)C3CCCN3)c(C)c(C)c2O)n1
InChIInChI=1S/C21H24N4O2/c1-11-8-12(2)24-19(16(11)10-22)15-9-18(13(3)14(4)20(15)26)25-21(27)17-6-5-7-23-17/h8-9,17,23,26H,5-7H2,1-4H3,(H,25,27)
InChIKeyONHYJNCWWLJZTM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.25
Rot. Bonds3

About N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide

N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide (PubChem CID 165157829) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide
PubChem CID165157829
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(C#N)c(-c2cc(NC(=O)C3CCCN3)c(C)c(C)c2O)n1
InChIInChI=1S/C21H24N4O2/c1-11-8-12(2)24-19(16(11)10-22)15-9-18(13(3)14(4)20(15)26)25-21(27)17-6-5-7-23-17/h8-9,17,23,26H,5-7H2,1-4H3,(H,25,27)
InChIKeyONHYJNCWWLJZTM-UHFFFAOYSA-N
XLogP3.25
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
(2S)-N-(5-cyano-3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 61178083
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
(2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 170638037
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide (CID 165157829) is N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide is Cc1cc(C)c(C#N)c(-c2cc(NC(=O)C3CCCN3)c(C)c(C)c2O)n1.
What is the InChIKey of N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide?
The InChIKey is ONHYJNCWWLJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-11-8-12(2)24-19(16(11)10-22)15-9-18(13(3)14(4)20(15)26)25-21(27)17-6-5-7-23-17/h8-9,17,23,26H,5-7H2,1-4H3,(H,25,27).
What are the key properties of N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide?
N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165157829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).