(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride

C11H17Cl2N3O — CID 119884720

IUPAC(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1cncc(NC(=O)[C@@H]2CCCN2)c1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-5-9(7-12-6-8)14-11(15)10-3-2-4-13-10;;/h5-7,10,13H,2-4H2,1H3,(H,14,15);2*1H/t10-;;/m0../s1
InChIKeyCFRGWCFISWVDCG-XRIOVQLTSA-N
MW278.18 g/mol
LogP1.92
Rot. Bonds2

About (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride

(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119884720) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119884720
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1cncc(NC(=O)[C@@H]2CCCN2)c1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-5-9(7-12-6-8)14-11(15)10-3-2-4-13-10;;/h5-7,10,13H,2-4H2,1H3,(H,14,15);2*1H/t10-;;/m0../s1
InChIKeyCFRGWCFISWVDCG-XRIOVQLTSA-N
XLogP1.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 104913917
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119328472
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119884720) is (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride is Cc1cncc(NC(=O)[C@@H]2CCCN2)c1.Cl.Cl.
What is the InChIKey of (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is CFRGWCFISWVDCG-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c1-8-5-9(7-12-6-8)14-11(15)10-3-2-4-13-10;;/h5-7,10,13H,2-4H2,1H3,(H,14,15);2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride?
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119884720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).