2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide

C20H14ClI2N3O2 — CID 3467795

IUPAC2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1)c1cccnc1Cl
InChIInChI=1S/C20H14ClI2N3O2/c21-19-16(2-1-9-24-19)20(27)26-25-11-14-5-8-18(17(23)10-14)28-12-13-3-6-15(22)7-4-13/h1-11H,12H2,(H,26,27)
InChIKeyMDFYNFOJHQKMOA-UHFFFAOYSA-N
MW617.61 g/mol
LogP5.29
Rot. Bonds6

About 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 3467795) has the molecular formula C20H14ClI2N3O2 and a molecular weight of 617.61 g/mol. Its IUPAC name is 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID3467795
Molecular FormulaC20H14ClI2N3O2
Molecular Weight617.61 g/mol
Exact Mass616.89
IUPAC Name2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1)c1cccnc1Cl
InChIInChI=1S/C20H14ClI2N3O2/c21-19-16(2-1-9-24-19)20(27)26-25-11-14-5-8-18(17(23)10-14)28-12-13-3-6-15(22)7-4-13/h1-11H,12H2,(H,26,27)
InChIKeyMDFYNFOJHQKMOA-UHFFFAOYSA-N
XLogP5.29
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3927384
2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3515448
2-chloro-N-[(3-iodo-4-prop-2-enoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 4644187
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4648687
2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 4036296
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3280407
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3272853
methyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3445415
methyl 2-[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3513981
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 5022163
3-[[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 4264998

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide (CID 3467795) is 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is MDFYNFOJHQKMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClI2N3O2/c21-19-16(2-1-9-24-19)20(27)26-25-11-14-5-8-18(17(23)10-14)28-12-13-3-6-15(22)7-4-13/h1-11H,12H2,(H,26,27).
What are the key properties of 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 617.61 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3467795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).