N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide

C15H22IN3O — CID 172678771

IUPACN-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C)N1CCCC1C(=O)Nc1ccc(I)nc1
InChIInChI=1S/C15H22IN3O/c1-4-15(2,3)19-9-5-6-12(19)14(20)18-11-7-8-13(16)17-10-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyACGDAHOAFOSRLD-UHFFFAOYSA-N
MW387.27 g/mol
LogP3.28
Rot. Bonds4

About N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide

N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 172678771) has the molecular formula C15H22IN3O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID172678771
Molecular FormulaC15H22IN3O
Molecular Weight387.27 g/mol
Exact Mass387.08
IUPAC NameN-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C)N1CCCC1C(=O)Nc1ccc(I)nc1
InChIInChI=1S/C15H22IN3O/c1-4-15(2,3)19-9-5-6-12(19)14(20)18-11-7-8-13(16)17-10-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyACGDAHOAFOSRLD-UHFFFAOYSA-N
XLogP3.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylbutan-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 172695926
N-[4-(1H-imidazol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60613372
1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 55634906
N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide
CID 172840482
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55784405
(2S)-1-[(1S)-1-hydroxy-1-phenylethyl]-N-[4-[(E)-2-[4-[[(2S)-1-[(1S)-1-hydroxy-1-phenylethyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 73353565
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 86920866

Frequently Asked Questions

What is the IUPAC name of N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide (CID 172678771) is N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide is CCC(C)(C)N1CCCC1C(=O)Nc1ccc(I)nc1.
What is the InChIKey of N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ACGDAHOAFOSRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O/c1-4-15(2,3)19-9-5-6-12(19)14(20)18-11-7-8-13(16)17-10-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodo-3-pyridinyl)-1-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 172678771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).