1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide

C11H14IN3O2 — CID 154763502

IUPAC1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCOc1cnc(N2CCC(C(N)=O)C2)c(I)c1
InChIInChI=1S/C11H14IN3O2/c1-17-8-4-9(12)11(14-5-8)15-3-2-7(6-15)10(13)16/h4-5,7H,2-3,6H2,1H3,(H2,13,16)
InChIKeyWHXXHLDPDUWNPI-UHFFFAOYSA-N
MW347.16 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide

1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 154763502) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID154763502
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC Name1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCOc1cnc(N2CCC(C(N)=O)C2)c(I)c1
InChIInChI=1S/C11H14IN3O2/c1-17-8-4-9(12)11(14-5-8)15-3-2-7(6-15)10(13)16/h4-5,7H,2-3,6H2,1H3,(H2,13,16)
InChIKeyWHXXHLDPDUWNPI-UHFFFAOYSA-N
XLogP1.01
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide (CID 154763502) is 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide is COc1cnc(N2CCC(C(N)=O)C2)c(I)c1.
What is the InChIKey of 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is WHXXHLDPDUWNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-17-8-4-9(12)11(14-5-8)15-3-2-7(6-15)10(13)16/h4-5,7H,2-3,6H2,1H3,(H2,13,16).
What are the key properties of 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide?
1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 347.16 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-5-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154763502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).