N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide

C20H16BrN3O2 — CID 7332805

IUPACN-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1ccncc1
InChIInChI=1S/C20H16BrN3O2/c21-18-6-7-19(26-14-15-4-2-1-3-5-15)17(12-18)13-23-24-20(25)16-8-10-22-11-9-16/h1-13H,14H2,(H,24,25)/b23-13-
InChIKeyIBFWUDRXBIVVHB-QRVIBDJDSA-N
MW410.27 g/mol
LogP4.19
Rot. Bonds6

About N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 7332805) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID7332805
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC NameN-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1ccncc1
InChIInChI=1S/C20H16BrN3O2/c21-18-6-7-19(26-14-15-4-2-1-3-5-15)17(12-18)13-23-24-20(25)16-8-10-22-11-9-16/h1-13H,14H2,(H,24,25)/b23-13-
InChIKeyIBFWUDRXBIVVHB-QRVIBDJDSA-N
XLogP4.19
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5415702
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126338966
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
2-[4-bromo-2-[(E)-[(3-ethoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126324032
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
[4-bromo-2-[[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3395615

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 7332805) is N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1ccncc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is IBFWUDRXBIVVHB-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c21-18-6-7-19(26-14-15-4-2-1-3-5-15)17(12-18)13-23-24-20(25)16-8-10-22-11-9-16/h1-13H,14H2,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 410.27 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 7332805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).