4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide

About 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide

4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 170385401) has the molecular formula C29H30ClFIN5O5S and a molecular weight of 742.01 g/mol. Its IUPAC name is 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name	4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID	170385401
Molecular Formula	C29H30ClFIN5O5S
Molecular Weight	742.01 g/mol
Exact Mass	741.07
IUPAC Name	4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILES	Cc1c(Oc2cccc(N(C3CC3)S(=O)(=O)NC3CC3)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
InChI	InChI=1S/C29H30ClFIN5O5S/c1-15-26(42-23-5-3-4-22(25(23)30)37(19-11-12-19)43(40,41)35-18-9-10-18)24(28(38)33-17-7-8-17)27(36(2)29(15)39)34-21-13-6-16(32)14-20(21)31/h3-6,13-14,17-19,34-35H,7-12H2,1-2H3,(H,33,38)
InChIKey	INIRPKAYZUAXJE-UHFFFAOYSA-N
XLogP	5.48
TPSA	121.77 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	11
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.01
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 170385401) is 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide is Cc1c(Oc2cccc(N(C3CC3)S(=O)(=O)NC3CC3)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O.

What is the InChIKey of 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is INIRPKAYZUAXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFIN5O5S/c1-15-26(42-23-5-3-4-22(25(23)30)37(19-11-12-19)43(40,41)35-18-9-10-18)24(28(38)33-17-7-8-17)27(36(2)29(15)39)34-21-13-6-16(32)14-20(21)31/h3-6,13-14,17-19,34-35H,7-12H2,1-2H3,(H,33,38).

What are the key properties of 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide?

4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 742.01 g/mol, XLogP of 5.48, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-3-[cyclopropyl(cyclopropylsulfamoyl)amino]phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 170385401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).