2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide

C18H14ClI2N5O2 — CID 58202285

IUPAC2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(I)cc(I)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C18H14ClI2N5O2/c1-9-6-14(26(25-9)16-12(19)4-3-5-23-16)18(28)24-15-11(17(27)22-2)7-10(20)8-13(15)21/h3-8H,1-2H3,(H,22,27)(H,24,28)
InChIKeyLBHMITSPXUEPKL-UHFFFAOYSA-N
MW621.60 g/mol
LogP4.05
Rot. Bonds4

About 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide

2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 58202285) has the molecular formula C18H14ClI2N5O2 and a molecular weight of 621.60 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID58202285
Molecular FormulaC18H14ClI2N5O2
Molecular Weight621.60 g/mol
Exact Mass620.89
IUPAC Name2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(I)cc(I)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl
InChIInChI=1S/C18H14ClI2N5O2/c1-9-6-14(26(25-9)16-12(19)4-3-5-23-16)18(28)24-15-11(17(27)22-2)7-10(20)8-13(15)21/h3-8H,1-2H3,(H,22,27)(H,24,28)
InChIKeyLBHMITSPXUEPKL-UHFFFAOYSA-N
XLogP4.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-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

2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
N-[4-chloro-2-ethyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 143049906
N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202262
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961
1-(3-chloro-2-pyridinyl)-N-[4-iodo-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58066411
1-(3-chloro-2-pyridinyl)-3-[[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)tetrazol-2-yl]methyl]-N-[4-iodo-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 59529984
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202337
N-[1-bromo-3-(methylcarbamoyl)naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59514625
N-[4-chloro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202299
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
CID 159513798
N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 58202285) is 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide is CNC(=O)c1cc(I)cc(I)c1NC(=O)c1cc(C)nn1-c1ncccc1Cl.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is LBHMITSPXUEPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClI2N5O2/c1-9-6-14(26(25-9)16-12(19)4-3-5-23-16)18(28)24-15-11(17(27)22-2)7-10(20)8-13(15)21/h3-8H,1-2H3,(H,22,27)(H,24,28).
What are the key properties of 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 621.60 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-N-[2,4-diiodo-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 58202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).