(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone

C10H12IN3O — CID 149181615

IUPAC(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(I)C2)nc1
InChIInChI=1S/C10H12IN3O/c11-7-3-4-14(6-7)10(15)9-2-1-8(12)5-13-9/h1-2,5,7H,3-4,6,12H2
InChIKeyXBBNVTUOHIOEJA-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.31
Rot. Bonds1

About (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone

(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone (PubChem CID 149181615) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone
PubChem CID149181615
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(I)C2)nc1
InChIInChI=1S/C10H12IN3O/c11-7-3-4-14(6-7)10(15)9-2-1-8(12)5-13-9/h1-2,5,7H,3-4,6,12H2
InChIKeyXBBNVTUOHIOEJA-UHFFFAOYSA-N
XLogP1.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359
N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
N-[2-[1-(5-aminopyridine-2-carbonyl)pyrrolidin-3-yl]ethyl]pyrimidine-5-carboxamide
CID 167831589
(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 138985813
(5-amino-2-pyridinyl)-[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 147235702
2-[4-(5-aminopyridine-2-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 81311913
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone (CID 149181615) is (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(I)C2)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone?
The InChIKey is XBBNVTUOHIOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c11-7-3-4-14(6-7)10(15)9-2-1-8(12)5-13-9/h1-2,5,7H,3-4,6,12H2.
What are the key properties of (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone?
(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone has a molecular weight of 317.13 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone is sourced from PubChem (CID 149181615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).