1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride

C16H19Cl2N3O — CID 175830062

IUPAC1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCN(c2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C16H17N3O.2ClH/c17-16(20)14-7-9-19(11-14)15-5-3-12(4-6-15)13-2-1-8-18-10-13;;/h1-6,8,10,14H,7,9,11H2,(H2,17,20);2*1H
InChIKeyRCIBTIILEDIQOI-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride

1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 175830062) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID175830062
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCN(c2ccc(-c3cccnc3)cc2)C1
InChIInChI=1S/C16H17N3O.2ClH/c17-16(20)14-7-9-19(11-14)15-5-3-12(4-6-15)13-2-1-8-18-10-13;;/h1-6,8,10,14H,7,9,11H2,(H2,17,20);2*1H
InChIKeyRCIBTIILEDIQOI-UHFFFAOYSA-N
XLogP2.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 45275778
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56870477
1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid
CID 117099169
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride (CID 175830062) is 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CCN(c2ccc(-c3cccnc3)cc2)C1.
What is the InChIKey of 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is RCIBTIILEDIQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.2ClH/c17-16(20)14-7-9-19(11-14)15-5-3-12(4-6-15)13-2-1-8-18-10-13;;/h1-6,8,10,14H,7,9,11H2,(H2,17,20);2*1H.
What are the key properties of 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride?
1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 340.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 175830062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).