[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C16H15ClN2O — CID 42845797

IUPAC[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCCC1
InChIInChI=1S/C16H15ClN2O/c17-15-5-3-12(4-6-15)13-9-14(11-18-10-13)16(20)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2
InChIKeyBKIJGROEWKOTMI-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.64
Rot. Bonds2

About [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 42845797) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID42845797
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCCC1
InChIInChI=1S/C16H15ClN2O/c17-15-5-3-12(4-6-15)13-9-14(11-18-10-13)16(20)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2
InChIKeyBKIJGROEWKOTMI-UHFFFAOYSA-N
XLogP3.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 136514396
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126788593
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 119663953
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 120818883
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
(3S,4S)-1-[5-(4-chlorophenyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951694
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
CID 146147832
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
N-(2,4-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102982
N-(2,5-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102983

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 42845797) is [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCCC1.
What is the InChIKey of [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BKIJGROEWKOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-15-5-3-12(4-6-15)13-9-14(11-18-10-13)16(20)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2.
What are the key properties of [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 286.76 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42845797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).