4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide

C14H13ClIN3O — CID 47234649

IUPAC4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide
SMILESCN(C)c1ncccc1NC(=O)c1ccc(Cl)cc1I
InChIInChI=1S/C14H13ClIN3O/c1-19(2)13-12(4-3-7-17-13)18-14(20)10-6-5-9(15)8-11(10)16/h3-8H,1-2H3,(H,18,20)
InChIKeyYQVKXPODGLEIHO-UHFFFAOYSA-N
MW401.64 g/mol
LogP3.66
Rot. Bonds3

About 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide

4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide (PubChem CID 47234649) has the molecular formula C14H13ClIN3O and a molecular weight of 401.64 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide
PubChem CID47234649
Molecular FormulaC14H13ClIN3O
Molecular Weight401.64 g/mol
Exact Mass400.98
IUPAC Name4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide
SMILESCN(C)c1ncccc1NC(=O)c1ccc(Cl)cc1I
InChIInChI=1S/C14H13ClIN3O/c1-19(2)13-12(4-3-7-17-13)18-14(20)10-6-5-9(15)8-11(10)16/h3-8H,1-2H3,(H,18,20)
InChIKeyYQVKXPODGLEIHO-UHFFFAOYSA-N
XLogP3.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 66482742
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502
4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810604
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71896808
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 53016555
2-(dimethylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 38885784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide (CID 47234649) is 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide is CN(C)c1ncccc1NC(=O)c1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide?
The InChIKey is YQVKXPODGLEIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN3O/c1-19(2)13-12(4-3-7-17-13)18-14(20)10-6-5-9(15)8-11(10)16/h3-8H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide?
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide has a molecular weight of 401.64 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide is sourced from PubChem (CID 47234649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).