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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Related Compounds

methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
CID 175232153
[4-(trifluoromethyl)phenyl]methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
CID 88857410
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
CID 155064884
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroperoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 154956016
methyl 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxylate
CID 67110467
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-N-[(4-chlorophenyl)methoxy]pyridine-2-carboxamide
CID 59471265
methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
CID 90408725
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
benzyl 4-amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)-5-fluoropyridine-2-carboxylate
CID 57412075
(2-methoxycarbonylphenyl)methyl 4-amino-3-chloro-5-fluoro-6-[2-fluoro-4-(iodomethyl)-3-methoxyphenyl]pyridine-2-carboxylate
CID 118258665
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258

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).