N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide

C19H18FIN4O5 — CID 87427349

IUPACN-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide
SMILESC=COCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2c(C)noc12
InChIInChI=1S/C19H18FIN4O5/c1-4-28-7-8-29-24-18(26)15-16-14(10(2)23-30-16)19(27)25(3)17(15)22-13-6-5-11(21)9-12(13)20/h4-6,9,22H,1,7-8H2,2-3H3,(H,24,26)
InChIKeyPFYXWRWHCYIWGN-UHFFFAOYSA-N
MW528.28 g/mol
LogP3.14
Rot. Bonds8

About N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide

N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide (PubChem CID 87427349) has the molecular formula C19H18FIN4O5 and a molecular weight of 528.28 g/mol. Its IUPAC name is N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide
PubChem CID87427349
Molecular FormulaC19H18FIN4O5
Molecular Weight528.28 g/mol
Exact Mass528.03
IUPAC NameN-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide
SMILESC=COCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2c(C)noc12
InChIInChI=1S/C19H18FIN4O5/c1-4-28-7-8-29-24-18(26)15-16-14(10(2)23-30-16)19(27)25(3)17(15)22-13-6-5-11(21)9-12(13)20/h4-6,9,22H,1,7-8H2,2-3H3,(H,24,26)
InChIKeyPFYXWRWHCYIWGN-UHFFFAOYSA-N
XLogP3.14
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
CID 86671098
2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
N-(2-ethenoxyethoxy)-4-(2-fluoro-4-iodoanilino)-1,2-benzothiazole-5-carboxamide
CID 86656247
N-[(3S)-3,4-dihydroxybutoxy]-4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 25108961
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide
CID 143830516
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
CID 143830550

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide (CID 87427349) is N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide is C=COCCONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2c(C)noc12.
What is the InChIKey of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide?
The InChIKey is PFYXWRWHCYIWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FIN4O5/c1-4-28-7-8-29-24-18(26)15-16-14(10(2)23-30-16)19(27)25(3)17(15)22-13-6-5-11(21)9-12(13)20/h4-6,9,22H,1,7-8H2,2-3H3,(H,24,26).
What are the key properties of N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide?
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide has a molecular weight of 528.28 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 87427349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).