2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide

C24H17Cl2N3O2 — CID 5125283

IUPAC2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccnc1Cl
InChIInChI=1S/C24H17Cl2N3O2/c25-18-10-7-16(8-11-18)15-31-22-12-9-17-4-1-2-5-19(17)21(22)14-28-29-24(30)20-6-3-13-27-23(20)26/h1-14H,15H2,(H,29,30)
InChIKeyZCVKIOZTODQBGZ-UHFFFAOYSA-N
MW450.33 g/mol
LogP5.88
Rot. Bonds6

About 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 5125283) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID5125283
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC Name2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccnc1Cl
InChIInChI=1S/C24H17Cl2N3O2/c25-18-10-7-16(8-11-18)15-31-22-12-9-17-4-1-2-5-19(17)21(22)14-28-29-24(30)20-6-3-13-27-23(20)26/h1-14H,15H2,(H,29,30)
InChIKeyZCVKIOZTODQBGZ-UHFFFAOYSA-N
XLogP5.88
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.88
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395824
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
CID 4690397
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4648687
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6151114
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675
2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3291466
2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 3637449
2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide (CID 5125283) is 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is ZCVKIOZTODQBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c25-18-10-7-16(8-11-18)15-31-22-12-9-17-4-1-2-5-19(17)21(22)14-28-29-24(30)20-6-3-13-27-23(20)26/h1-14H,15H2,(H,29,30).
What are the key properties of 2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 450.33 g/mol, XLogP of 5.88, 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-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5125283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).