N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide

C24H17BrClN3O2 — CID 3295485

IUPACN-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
SMILESO=C(NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12)c1cccnc1Cl
InChIInChI=1S/C24H17BrClN3O2/c25-19-10-11-22(31-15-17-7-3-6-16-5-1-2-8-20(16)17)18(13-19)14-28-29-24(30)21-9-4-12-27-23(21)26/h1-14H,15H2,(H,29,30)
InChIKeyBIXWZOZNXXWAQD-UHFFFAOYSA-N
MW494.78 g/mol
LogP5.99
Rot. Bonds6

About N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide

N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide (PubChem CID 3295485) has the molecular formula C24H17BrClN3O2 and a molecular weight of 494.78 g/mol. Its IUPAC name is N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
PubChem CID3295485
Molecular FormulaC24H17BrClN3O2
Molecular Weight494.78 g/mol
Exact Mass493.02
IUPAC NameN-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
SMILESO=C(NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12)c1cccnc1Cl
InChIInChI=1S/C24H17BrClN3O2/c25-19-10-11-22(31-15-17-7-3-6-16-5-1-2-8-20(16)17)18(13-19)14-28-29-24(30)21-9-4-12-27-23(21)26/h1-14H,15H2,(H,29,30)
InChIKeyBIXWZOZNXXWAQD-UHFFFAOYSA-N
XLogP5.99
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.78
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 1370223
2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3943827
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 5022163
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 3948265
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5029518
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 4319773
N-[(E)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126323155
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3927384
3-methoxy-N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 3522022

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide (CID 3295485) is N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide is O=C(NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12)c1cccnc1Cl.
What is the InChIKey of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
The InChIKey is BIXWZOZNXXWAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClN3O2/c25-19-10-11-22(31-15-17-7-3-6-16-5-1-2-8-20(16)17)18(13-19)14-28-29-24(30)21-9-4-12-27-23(21)26/h1-14H,15H2,(H,29,30).
What are the key properties of N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide?
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide has a molecular weight of 494.78 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 N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 3295485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).