N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide

C21H18IN3O4 — CID 4236542

IUPACN-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(I)ccc2NC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C21H18IN3O4/c1-28-15-6-8-18(19(11-15)29-2)25-21(27)16-10-14(22)5-7-17(16)24-20(26)13-4-3-9-23-12-13/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyZSSPTIAUJSGJEF-UHFFFAOYSA-N
MW503.30 g/mol
LogP4.21
Rot. Bonds6

About N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide

N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide (PubChem CID 4236542) has the molecular formula C21H18IN3O4 and a molecular weight of 503.30 g/mol. Its IUPAC name is N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide
PubChem CID4236542
Molecular FormulaC21H18IN3O4
Molecular Weight503.30 g/mol
Exact Mass503.03
IUPAC NameN-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(I)ccc2NC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C21H18IN3O4/c1-28-15-6-8-18(19(11-15)29-2)25-21(27)16-10-14(22)5-7-17(16)24-20(26)13-4-3-9-23-12-13/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyZSSPTIAUJSGJEF-UHFFFAOYSA-N
XLogP4.21
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.30
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
(E)-3-(2,4-dimethoxyanilino)-1-pyridin-3-ylbut-2-en-1-one
CID 39388472
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
5-methoxy-N-methyl-2-[(4-pyridin-3-yloxybenzoyl)amino]benzamide
CID 167844650
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113019982

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide (CID 4236542) is N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc(I)ccc2NC(=O)c2cccnc2)c(OC)c1.
What is the InChIKey of N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
The InChIKey is ZSSPTIAUJSGJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN3O4/c1-28-15-6-8-18(19(11-15)29-2)25-21(27)16-10-14(22)5-7-17(16)24-20(26)13-4-3-9-23-12-13/h3-12H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide has a molecular weight of 503.30 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4236542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).