3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide

C19H15ClIN3O2 — CID 11677348

IUPAC3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccncc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C19H15ClIN3O2/c20-16-10-14(21)6-7-17(16)23-18-11-22-9-8-15(18)19(25)24-26-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,25)
InChIKeyGXKLGONIHMFDJN-UHFFFAOYSA-N
MW479.71 g/mol
LogP4.94
Rot. Bonds6

About 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide

3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide (PubChem CID 11677348) has the molecular formula C19H15ClIN3O2 and a molecular weight of 479.71 g/mol. Its IUPAC name is 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide
PubChem CID11677348
Molecular FormulaC19H15ClIN3O2
Molecular Weight479.71 g/mol
Exact Mass478.99
IUPAC Name3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccncc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C19H15ClIN3O2/c20-16-10-14(21)6-7-17(16)23-18-11-22-9-8-15(18)19(25)24-26-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,25)
InChIKeyGXKLGONIHMFDJN-UHFFFAOYSA-N
XLogP4.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.71
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107606116
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
3-(2-chloro-4-ethynylanilino)-N-(2,3-dihydroxypropoxy)pyridine-4-carboxamide
CID 11610213
2-(2-chloro-4-iodoanilino)-4,5-difluoro-N-(2-hydroxy-3-phenoxypropoxy)benzamide
CID 22285949
[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67251550
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
CID 10205117
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
3-(2-fluoro-4-iodoanilino)-N-[2-(oxan-2-yl)ethoxy]pyridine-4-carboxamide
CID 143220424
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide (CID 11677348) is 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide is O=C(NOCc1ccccc1)c1ccncc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide?
The InChIKey is GXKLGONIHMFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClIN3O2/c20-16-10-14(21)6-7-17(16)23-18-11-22-9-8-15(18)19(25)24-26-12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,25).
What are the key properties of 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide?
3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide has a molecular weight of 479.71 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-iodoanilino)-N-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 11677348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).