N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide

C25H21FIN3O4 — CID 146543412

IUPACN-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)n(C)c(=O)c3c(Nc4ccc(I)cc4F)c(C)c(=O)oc23)c1
InChIInChI=1S/C25H21FIN3O4/c1-12-22(29-19-9-8-16(27)11-18(19)26)21-23(34-25(12)33)20(13(2)30(4)24(21)32)15-6-5-7-17(10-15)28-14(3)31/h5-11,29H,1-4H3,(H,28,31)
InChIKeyLDQUWZBKUUHKAT-UHFFFAOYSA-N
MW573.36 g/mol
LogP5.22
Rot. Bonds4

About N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide

N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide (PubChem CID 146543412) has the molecular formula C25H21FIN3O4 and a molecular weight of 573.36 g/mol. Its IUPAC name is N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
PubChem CID146543412
Molecular FormulaC25H21FIN3O4
Molecular Weight573.36 g/mol
Exact Mass573.06
IUPAC NameN-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)n(C)c(=O)c3c(Nc4ccc(I)cc4F)c(C)c(=O)oc23)c1
InChIInChI=1S/C25H21FIN3O4/c1-12-22(29-19-9-8-16(27)11-18(19)26)21-23(34-25(12)33)20(13(2)30(4)24(21)32)15-6-5-7-17(10-15)28-14(3)31/h5-11,29H,1-4H3,(H,28,31)
InChIKeyLDQUWZBKUUHKAT-UHFFFAOYSA-N
XLogP5.22
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.36
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide (CID 146543412) is N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2c(C)n(C)c(=O)c3c(Nc4ccc(I)cc4F)c(C)c(=O)oc23)c1.
What is the InChIKey of N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
The InChIKey is LDQUWZBKUUHKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FIN3O4/c1-12-22(29-19-9-8-16(27)11-18(19)26)21-23(34-25(12)33)20(13(2)30(4)24(21)32)15-6-5-7-17(10-15)28-14(3)31/h5-11,29H,1-4H3,(H,28,31).
What are the key properties of N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide has a molecular weight of 573.36 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluoro-4-iodoanilino)-3,6,7-trimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide is sourced from PubChem (CID 146543412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).