2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide

C24H16Br2ClN3O2 — CID 3291466

IUPAC2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cccnc1Cl
InChIInChI=1S/C24H16Br2ClN3O2/c25-20-11-16(13-29-30-24(31)19-6-3-9-28-23(19)27)12-21(26)22(20)32-14-15-7-8-17-4-1-2-5-18(17)10-15/h1-13H,14H2,(H,30,31)
InChIKeyDXLIUQBTOZIMGK-UHFFFAOYSA-N
MW573.67 g/mol
LogP6.76
Rot. Bonds6

About 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 3291466) has the molecular formula C24H16Br2ClN3O2 and a molecular weight of 573.67 g/mol. Its IUPAC name is 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID3291466
Molecular FormulaC24H16Br2ClN3O2
Molecular Weight573.67 g/mol
Exact Mass570.93
IUPAC Name2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cccnc1Cl
InChIInChI=1S/C24H16Br2ClN3O2/c25-20-11-16(13-29-30-24(31)19-6-3-9-28-23(19)27)12-21(26)22(20)32-14-15-7-8-17-4-1-2-5-18(17)10-15/h1-13H,14H2,(H,30,31)
InChIKeyDXLIUQBTOZIMGK-UHFFFAOYSA-N
XLogP6.76
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.67
LogP ≤ 56.76
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

2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3515448
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5024902
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126372815
N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378284
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3280407
2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 3950400
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 98050402
N-[(E)-[3-bromo-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046618
N-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3641765
N-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3927384
ethyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 3425465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide (CID 3291466) is 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is DXLIUQBTOZIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2ClN3O2/c25-20-11-16(13-29-30-24(31)19-6-3-9-28-23(19)27)12-21(26)22(20)32-14-15-7-8-17-4-1-2-5-18(17)10-15/h1-13H,14H2,(H,30,31).
What are the key properties of 2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 573.67 g/mol, XLogP of 6.76, 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-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3291466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).