5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

C18H23Cl2N3O — CID 119535829

IUPAC5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C18H21N3O.2ClH/c22-18(21-9-7-14-6-8-19-11-14)17-10-16(12-20-13-17)15-4-2-1-3-5-15;;/h1-5,10,12-14,19H,6-9,11H2,(H,21,22);2*1H
InChIKeyFHUUXDSMBXQBJE-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.32
Rot. Bonds5

About 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119535829) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119535829
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C18H21N3O.2ClH/c22-18(21-9-7-14-6-8-19-11-14)17-10-16(12-20-13-17)15-4-2-1-3-5-15;;/h1-5,10,12-14,19H,6-9,11H2,(H,21,22);2*1H
InChIKeyFHUUXDSMBXQBJE-UHFFFAOYSA-N
XLogP3.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119535155
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119538139
5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 71730774
4-methyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119534158
5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119452546
2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119537449

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (CID 119535829) is 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCNC1)c1cncc(-c2ccccc2)c1.
What is the InChIKey of 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is FHUUXDSMBXQBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c22-18(21-9-7-14-6-8-19-11-14)17-10-16(12-20-13-17)15-4-2-1-3-5-15;;/h1-5,10,12-14,19H,6-9,11H2,(H,21,22);2*1H.
What are the key properties of 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119535829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).