(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone

C16H15IN2O — CID 96537371

IUPAC(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(I)cc1)N1CC[C@H](c2cccnc2)C1
InChIInChI=1S/C16H15IN2O/c17-15-5-3-12(4-6-15)16(20)19-9-7-14(11-19)13-2-1-8-18-10-13/h1-6,8,10,14H,7,9,11H2/t14-/m0/s1
InChIKeyNWGDNFJSVHTORE-AWEZNQCLSA-N
MW378.21 g/mol
LogP3.32
Rot. Bonds2

About (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone

(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 96537371) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID96537371
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(I)cc1)N1CC[C@H](c2cccnc2)C1
InChIInChI=1S/C16H15IN2O/c17-15-5-3-12(4-6-15)16(20)19-9-7-14(11-19)13-2-1-8-18-10-13/h1-6,8,10,14H,7,9,11H2/t14-/m0/s1
InChIKeyNWGDNFJSVHTORE-AWEZNQCLSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
[4-[1-hydroxy-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134080726
(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
CID 46846484
(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
CID 46846478
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 58838391
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 154843398
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46846683
(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190523
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 96537371) is (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is O=C(c1ccc(I)cc1)N1CC[C@H](c2cccnc2)C1.
What is the InChIKey of (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is NWGDNFJSVHTORE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15IN2O/c17-15-5-3-12(4-6-15)16(20)19-9-7-14(11-19)13-2-1-8-18-10-13/h1-6,8,10,14H,7,9,11H2/t14-/m0/s1.
What are the key properties of (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone?
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 378.21 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 96537371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).