(2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide

C20H21N3O — CID 143190799

IUPAC(2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCCc1ccccc1C#Cc1ccc(NC(=O)[C@H]2CCCN2)nc1
InChIInChI=1S/C20H21N3O/c1-2-16-6-3-4-7-17(16)11-9-15-10-12-19(22-14-15)23-20(24)18-8-5-13-21-18/h3-4,6-7,10,12,14,18,21H,2,5,8,13H2,1H3,(H,22,23,24)/t18-/m1/s1
InChIKeySEBCIOPVXJRLRB-GOSISDBHSA-N
MW319.41 g/mol
LogP2.73
Rot. Bonds3

About (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide

(2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 143190799) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID143190799
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCCc1ccccc1C#Cc1ccc(NC(=O)[C@H]2CCCN2)nc1
InChIInChI=1S/C20H21N3O/c1-2-16-6-3-4-7-17(16)11-9-15-10-12-19(22-14-15)23-20(24)18-8-5-13-21-18/h3-4,6-7,10,12,14,18,21H,2,5,8,13H2,1H3,(H,22,23,24)/t18-/m1/s1
InChIKeySEBCIOPVXJRLRB-GOSISDBHSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345
N-(5-ethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104617951
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 122081463
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104619250
N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115976378

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 143190799) is (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide is CCc1ccccc1C#Cc1ccc(NC(=O)[C@H]2CCCN2)nc1.
What is the InChIKey of (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is SEBCIOPVXJRLRB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-16-6-3-4-7-17(16)11-9-15-10-12-19(22-14-15)23-20(24)18-8-5-13-21-18/h3-4,6-7,10,12,14,18,21H,2,5,8,13H2,1H3,(H,22,23,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
(2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[2-(2-ethylphenyl)ethynyl]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143190799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).