4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide

C16H13Cl2F2N3O3 — CID 59471260

IUPAC4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide
SMILESC=CCONC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C16H13Cl2F2N3O3/c1-3-6-26-23-16(24)14-9(18)12(21)11(20)13(22-14)7-4-5-8(17)15(25-2)10(7)19/h3-5H,1,6H2,2H3,(H2,21,22)(H,23,24)
InChIKeyUDQQVSNDLYAXBK-UHFFFAOYSA-N
MW404.20 g/mol
LogP3.77
Rot. Bonds6

About 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide (PubChem CID 59471260) has the molecular formula C16H13Cl2F2N3O3 and a molecular weight of 404.20 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide
PubChem CID59471260
Molecular FormulaC16H13Cl2F2N3O3
Molecular Weight404.20 g/mol
Exact Mass403.03
IUPAC Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide
SMILESC=CCONC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C16H13Cl2F2N3O3/c1-3-6-26-23-16(24)14-9(18)12(21)11(20)13(22-14)7-4-5-8(17)15(25-2)10(7)19/h3-5H,1,6H2,2H3,(H2,21,22)(H,23,24)
InChIKeyUDQQVSNDLYAXBK-UHFFFAOYSA-N
XLogP3.77
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide (CID 59471260) is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide is C=CCONC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(N)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide?
The InChIKey is UDQQVSNDLYAXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2N3O3/c1-3-6-26-23-16(24)14-9(18)12(21)11(20)13(22-14)7-4-5-8(17)15(25-2)10(7)19/h3-5H,1,6H2,2H3,(H2,21,22)(H,23,24).
What are the key properties of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide?
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide has a molecular weight of 404.20 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide is sourced from PubChem (CID 59471260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).