4-iodo-N-(4-methyl-2-pyridinyl)benzamide

C13H11IN2O — CID 21204751

IUPAC4-iodo-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C13H11IN2O/c1-9-6-7-15-12(8-9)16-13(17)10-2-4-11(14)5-3-10/h2-8H,1H3,(H,15,16,17)
InChIKeyPEJICWHMZFMSKW-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.25
Rot. Bonds2

About 4-iodo-N-(4-methyl-2-pyridinyl)benzamide

4-iodo-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 21204751) has the molecular formula C13H11IN2O and a molecular weight of 338.15 g/mol. Its IUPAC name is 4-iodo-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID21204751
Molecular FormulaC13H11IN2O
Molecular Weight338.15 g/mol
Exact Mass337.99
IUPAC Name4-iodo-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C13H11IN2O/c1-9-6-7-15-12(8-9)16-13(17)10-2-4-11(14)5-3-10/h2-8H,1H3,(H,15,16,17)
InChIKeyPEJICWHMZFMSKW-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide
CID 46489941
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide
CID 4630518
2-N-(4-methyl-2-pyridinyl)pyridine-2,5-dicarboxamide
CID 47084943
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-iodo-N-(4-methyl-2-pyridinyl)benzamide (CID 21204751) is 4-iodo-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-iodo-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-iodo-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of 4-iodo-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is PEJICWHMZFMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O/c1-9-6-7-15-12(8-9)16-13(17)10-2-4-11(14)5-3-10/h2-8H,1H3,(H,15,16,17).
What are the key properties of 4-iodo-N-(4-methyl-2-pyridinyl)benzamide?
4-iodo-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 338.15 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 21204751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).