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

C20H15ClIN3O2 — CID 4648687

IUPAC2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1ccc(I)cc1)c1cccnc1Cl
InChIInChI=1S/C20H15ClIN3O2/c21-19-17(5-3-11-23-19)20(26)25-24-12-15-4-1-2-6-18(15)27-13-14-7-9-16(22)10-8-14/h1-12H,13H2,(H,25,26)
InChIKeyLNBZTSSSKYDJKP-UHFFFAOYSA-N
MW491.72 g/mol
LogP4.68
Rot. Bonds6

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

2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 4648687) has the molecular formula C20H15ClIN3O2 and a molecular weight of 491.72 g/mol. Its IUPAC name is 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID4648687
Molecular FormulaC20H15ClIN3O2
Molecular Weight491.72 g/mol
Exact Mass490.99
IUPAC Name2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1ccc(I)cc1)c1cccnc1Cl
InChIInChI=1S/C20H15ClIN3O2/c21-19-17(5-3-11-23-19)20(26)25-24-12-15-4-1-2-6-18(15)27-13-14-7-9-16(22)10-8-14/h1-12H,13H2,(H,25,26)
InChIKeyLNBZTSSSKYDJKP-UHFFFAOYSA-N
XLogP4.68
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.72
LogP ≤ 54.68
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3467795
N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061040
2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3515448
2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6285866
N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3927384
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061038
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060012
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
4-[[2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 7343454
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide (CID 4648687) is 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1ccccc1OCc1ccc(I)cc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is LNBZTSSSKYDJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClIN3O2/c21-19-17(5-3-11-23-19)20(26)25-24-12-15-4-1-2-6-18(15)27-13-14-7-9-16(22)10-8-14/h1-12H,13H2,(H,25,26).
What are the key properties of 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 491.72 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4648687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).