3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide

C16H16FIN4O2 — CID 11575838

IUPAC3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(NN1CCOCC1)c1ccncc1Nc1ccc(I)cc1F
InChIInChI=1S/C16H16FIN4O2/c17-13-9-11(18)1-2-14(13)20-15-10-19-4-3-12(15)16(23)21-22-5-7-24-8-6-22/h1-4,9-10,20H,5-8H2,(H,21,23)
InChIKeyJNQCDBSSYYBRMU-UHFFFAOYSA-N
MW442.23 g/mol
LogP2.55
Rot. Bonds4

About 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide

3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 11575838) has the molecular formula C16H16FIN4O2 and a molecular weight of 442.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
PubChem CID11575838
Molecular FormulaC16H16FIN4O2
Molecular Weight442.23 g/mol
Exact Mass442.03
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(NN1CCOCC1)c1ccncc1Nc1ccc(I)cc1F
InChIInChI=1S/C16H16FIN4O2/c17-13-9-11(18)1-2-14(13)20-15-10-19-4-3-12(15)16(23)21-22-5-7-24-8-6-22/h1-4,9-10,20H,5-8H2,(H,21,23)
InChIKeyJNQCDBSSYYBRMU-UHFFFAOYSA-N
XLogP2.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
3-hydroxy-N-morpholin-4-ylpyridine-4-carboxamide
CID 80706511
3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
CID 143220424
4-chloro-N-morpholin-4-ylpyridine-3-carboxamide
CID 82841865
tert-butyl 3-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538746
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67251550
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
N-morpholin-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 83025351
N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 90433890
3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 59596445

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide (CID 11575838) is 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide is O=C(NN1CCOCC1)c1ccncc1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is JNQCDBSSYYBRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN4O2/c17-13-9-11(18)1-2-14(13)20-15-10-19-4-3-12(15)16(23)21-22-5-7-24-8-6-22/h1-4,9-10,20H,5-8H2,(H,21,23).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 442.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 11575838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).