N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide

C20H15ClIN3O2 — CID 1307020

IUPACN-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1C(=O)NCc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H15ClIN3O2/c21-15-5-3-13(4-6-15)11-24-20(27)17-10-16(22)7-8-18(17)25-19(26)14-2-1-9-23-12-14/h1-10,12H,11H2,(H,24,27)(H,25,26)
InChIKeyGLHUMEHUHLKREV-UHFFFAOYSA-N
MW491.72 g/mol
LogP4.52
Rot. Bonds5

About N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide

N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide (PubChem CID 1307020) has the molecular formula C20H15ClIN3O2 and a molecular weight of 491.72 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide
PubChem CID1307020
Molecular FormulaC20H15ClIN3O2
Molecular Weight491.72 g/mol
Exact Mass490.99
IUPAC NameN-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1C(=O)NCc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H15ClIN3O2/c21-15-5-3-13(4-6-15)11-24-20(27)17-10-16(22)7-8-18(17)25-19(26)14-2-1-9-23-12-14/h1-10,12H,11H2,(H,24,27)(H,25,26)
InChIKeyGLHUMEHUHLKREV-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.72
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
2-[(3-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6457396
N-[(3-iodophenyl)methyl]pyridine-3-carboxamide
CID 125490904
N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide
CID 4236542
5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
2-[(2-chlorobenzoyl)amino]-5-iodo-N-pyridin-3-ylbenzamide
CID 2196346

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide (CID 1307020) is N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide is O=C(Nc1ccc(I)cc1C(=O)NCc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
The InChIKey is GLHUMEHUHLKREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClIN3O2/c21-15-5-3-13(4-6-15)11-24-20(27)17-10-16(22)7-8-18(17)25-19(26)14-2-1-9-23-12-14/h1-10,12H,11H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide?
N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide has a molecular weight of 491.72 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1307020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).