N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide

C20H14BrClIN3O2 — CID 3927384

IUPACN-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cccnc1Cl
InChIInChI=1S/C20H14BrClIN3O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(10-17(18)23)11-25-26-20(27)16-2-1-9-24-19(16)22/h1-11H,12H2,(H,26,27)
InChIKeyUXRQEIOGMUAFMW-UHFFFAOYSA-N
MW570.61 g/mol
LogP5.45
Rot. Bonds6

About N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide

N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide (PubChem CID 3927384) has the molecular formula C20H14BrClIN3O2 and a molecular weight of 570.61 g/mol. Its IUPAC name is N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
PubChem CID3927384
Molecular FormulaC20H14BrClIN3O2
Molecular Weight570.61 g/mol
Exact Mass568.90
IUPAC NameN-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cccnc1Cl
InChIInChI=1S/C20H14BrClIN3O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(10-17(18)23)11-25-26-20(27)16-2-1-9-24-19(16)22/h1-11H,12H2,(H,26,27)
InChIKeyUXRQEIOGMUAFMW-UHFFFAOYSA-N
XLogP5.45
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.61
LogP ≤ 55.45
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
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3280407
2-chloro-N-[(3-iodo-4-prop-2-enoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 4644187
2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3515448
2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 4036296
methyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3445415
N-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3641765
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4648687
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 5022163
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3272853
2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3291466
2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
CID 86771777

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide (CID 3927384) is N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide is O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cccnc1Cl.
What is the InChIKey of N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
The InChIKey is UXRQEIOGMUAFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClIN3O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(10-17(18)23)11-25-26-20(27)16-2-1-9-24-19(16)22/h1-11H,12H2,(H,26,27).
What are the key properties of N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide has a molecular weight of 570.61 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 3927384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).