(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C16H15IN2O — CID 60697684

IUPAC(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H15IN2O/c17-14-6-1-4-12(10-14)16(20)19-9-3-7-15(19)13-5-2-8-18-11-13/h1-2,4-6,8,10-11,15H,3,7,9H2
InChIKeyLSEOPGZKLNOWMN-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.66
Rot. Bonds2

About (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 60697684) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID60697684
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(I)c1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H15IN2O/c17-14-6-1-4-12(10-14)16(20)19-9-3-7-15(19)13-5-2-8-18-11-13/h1-2,4-6,8,10-11,15H,3,7,9H2
InChIKeyLSEOPGZKLNOWMN-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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

(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(2-amino-1,3-benzothiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155494071
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 60697684) is (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1cccc(I)c1)N1CCCC1c1cccnc1.
What is the InChIKey of (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is LSEOPGZKLNOWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c17-14-6-1-4-12(10-14)16(20)19-9-3-7-15(19)13-5-2-8-18-11-13/h1-2,4-6,8,10-11,15H,3,7,9H2.
What are the key properties of (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 378.21 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60697684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).