N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide

C14H13IN2O3 — CID 6457730

IUPACN-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(I)cn2)c1
InChIInChI=1S/C14H13IN2O3/c1-19-11-5-9(6-12(7-11)20-2)14(18)17-13-4-3-10(15)8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyKPZBBEOAWINKFP-UHFFFAOYSA-N
MW384.17 g/mol
LogP2.96
Rot. Bonds4

About N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide

N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide (PubChem CID 6457730) has the molecular formula C14H13IN2O3 and a molecular weight of 384.17 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide
PubChem CID6457730
Molecular FormulaC14H13IN2O3
Molecular Weight384.17 g/mol
Exact Mass384.00
IUPAC NameN-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(I)cn2)c1
InChIInChI=1S/C14H13IN2O3/c1-19-11-5-9(6-12(7-11)20-2)14(18)17-13-4-3-10(15)8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyKPZBBEOAWINKFP-UHFFFAOYSA-N
XLogP2.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 52.96
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 N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide (CID 6457730) is N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(I)cn2)c1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide?
The InChIKey is KPZBBEOAWINKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3/c1-19-11-5-9(6-12(7-11)20-2)14(18)17-13-4-3-10(15)8-16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide?
N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide has a molecular weight of 384.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 6457730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).