2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide

C20H13Cl3IN3O2 — CID 3515448

IUPAC2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cccnc1Cl
InChIInChI=1S/C20H13Cl3IN3O2/c21-16-8-13(10-26-27-20(28)15-2-1-7-25-19(15)23)9-17(22)18(16)29-11-12-3-5-14(24)6-4-12/h1-10H,11H2,(H,27,28)
InChIKeyJQMIKVIQIQSLMO-UHFFFAOYSA-N
MW560.61 g/mol
LogP5.99
Rot. Bonds6

About 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 3515448) has the molecular formula C20H13Cl3IN3O2 and a molecular weight of 560.61 g/mol. Its IUPAC name is 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID3515448
Molecular FormulaC20H13Cl3IN3O2
Molecular Weight560.61 g/mol
Exact Mass558.91
IUPAC Name2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cccnc1Cl
InChIInChI=1S/C20H13Cl3IN3O2/c21-16-8-13(10-26-27-20(28)15-2-1-7-25-19(15)23)9-17(22)18(16)29-11-12-3-5-14(24)6-4-12/h1-10H,11H2,(H,27,28)
InChIKeyJQMIKVIQIQSLMO-UHFFFAOYSA-N
XLogP5.99
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 55.99
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

2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3467795
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4648687
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3280407
2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3291466
ethyl 2-[2,6-dichloro-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3925108
2-chloro-N-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3912707
N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3927384
N-[[3-chloro-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3893068
N-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3641765
3-[[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 4264998
2-chloro-N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 4545658
2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide (CID 3515448) is 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is JQMIKVIQIQSLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3IN3O2/c21-16-8-13(10-26-27-20(28)15-2-1-7-25-19(15)23)9-17(22)18(16)29-11-12-3-5-14(24)6-4-12/h1-10H,11H2,(H,27,28).
What are the key properties of 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 560.61 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3515448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).