4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide

C14H12ClIN2O — CID 81226857

IUPAC4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(C)c(I)c2)cn1
InChIInChI=1S/C14H12ClIN2O/c1-8-3-4-10(6-13(8)16)18-14(19)11-7-17-9(2)5-12(11)15/h3-7H,1-2H3,(H,18,19)
InChIKeyMDRGGESSADLUQJ-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.21
Rot. Bonds2

About 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 81226857) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
PubChem CID81226857
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccc(C)c(I)c2)cn1
InChIInChI=1S/C14H12ClIN2O/c1-8-3-4-10(6-13(8)16)18-14(19)11-7-17-9(2)5-12(11)15/h3-7H,1-2H3,(H,18,19)
InChIKeyMDRGGESSADLUQJ-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.21
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

N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81226487
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide
CID 81226665
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 81225795
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide (CID 81226857) is 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2ccc(C)c(I)c2)cn1.
What is the InChIKey of 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is MDRGGESSADLUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c1-8-3-4-10(6-13(8)16)18-14(19)11-7-17-9(2)5-12(11)15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 386.62 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).