N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide

C10H13IN2O — CID 10946636

IUPACN-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1I
InChIInChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKeyWHHVZQZQGUTYJM-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.67
Rot. Bonds1

About N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide

N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 10946636) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID10946636
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC NameN-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1I
InChIInChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKeyWHHVZQZQGUTYJM-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide (CID 10946636) is N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1I.
What is the InChIKey of N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is WHHVZQZQGUTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide?
N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 304.13 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10946636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).