N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide

C14H13IN2O — CID 2209331

IUPACN-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)c(C)cc1I
InChIInChI=1S/C14H13IN2O/c1-9-7-13(10(2)6-12(9)15)17-14(18)11-4-3-5-16-8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyOPNGMSWUDUPCDY-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.56
Rot. Bonds2

About N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide

N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 2209331) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID2209331
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC NameN-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)c(C)cc1I
InChIInChI=1S/C14H13IN2O/c1-9-7-13(10(2)6-12(9)15)17-14(18)11-4-3-5-16-8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyOPNGMSWUDUPCDY-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
3-[4-methyl-3-(pyridine-3-carbonylamino)phenyl]prop-2-enoic acid
CID 76907410
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
CID 1297117
5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
CID 113483053
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-3-carboxamide
CID 1453015

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide (CID 2209331) is N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2)c(C)cc1I.
What is the InChIKey of N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is OPNGMSWUDUPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-9-7-13(10(2)6-12(9)15)17-14(18)11-4-3-5-16-8-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide?
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 352.18 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2209331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).