[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

C17H16Cl2N2O — CID 24885402

IUPAC[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cncc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O/c1-11-3-2-4-21(11)17(22)14-5-13(9-20-10-14)12-6-15(18)8-16(19)7-12/h5-11H,2-4H2,1H3
InChIKeyAZIIYJSYSYUCPI-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.68
Rot. Bonds2

About [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 24885402) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID24885402
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cncc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O/c1-11-3-2-4-21(11)17(22)14-5-13(9-20-10-14)12-6-15(18)8-16(19)7-12/h5-11H,2-4H2,1H3
InChIKeyAZIIYJSYSYUCPI-UHFFFAOYSA-N
XLogP4.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 10446398
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 58211278
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
5-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 71303489
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
(4-tert-butyl-3-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 142238320
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (CID 24885402) is [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cncc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is AZIIYJSYSYUCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-11-3-2-4-21(11)17(22)14-5-13(9-20-10-14)12-6-15(18)8-16(19)7-12/h5-11H,2-4H2,1H3.
What are the key properties of [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 335.23 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24885402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).