N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide

C17H15IN4O — CID 31923974

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccccc3I)cn2)n1
InChIInChI=1S/C17H15IN4O/c1-11-9-12(2)22(21-11)16-8-7-13(10-19-16)20-17(23)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,20,23)
InChIKeyLZKDTZYZQRXNQS-UHFFFAOYSA-N
MW418.24 g/mol
LogP3.74
Rot. Bonds3

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide (PubChem CID 31923974) has the molecular formula C17H15IN4O and a molecular weight of 418.24 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
PubChem CID31923974
Molecular FormulaC17H15IN4O
Molecular Weight418.24 g/mol
Exact Mass418.03
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccccc3I)cn2)n1
InChIInChI=1S/C17H15IN4O/c1-11-9-12(2)22(21-11)16-8-7-13(10-19-16)20-17(23)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,20,23)
InChIKeyLZKDTZYZQRXNQS-UHFFFAOYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-nitrobenzamide
CID 31907871
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
4-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 31908543
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008834
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821285
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
6-(aminomethyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 166362530
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46431658

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide (CID 31923974) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide is Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3I)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide?
The InChIKey is LZKDTZYZQRXNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN4O/c1-11-9-12(2)22(21-11)16-8-7-13(10-19-16)20-17(23)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide has a molecular weight of 418.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide is sourced from PubChem (CID 31923974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).