N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

C14H11Br2N3O2 — CID 41270292

IUPACN-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C14H11Br2N3O2/c1-21-13-11(15)6-9(7-12(13)16)8-18-19-14(20)10-2-4-17-5-3-10/h2-8H,1H3,(H,19,20)/b18-8-
InChIKeyDSCVUIXSXNMWSQ-LSCVHKIXSA-N
MW413.07 g/mol
LogP3.38
Rot. Bonds4

About N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 41270292) has the molecular formula C14H11Br2N3O2 and a molecular weight of 413.07 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID41270292
Molecular FormulaC14H11Br2N3O2
Molecular Weight413.07 g/mol
Exact Mass410.92
IUPAC NameN-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C14H11Br2N3O2/c1-21-13-11(15)6-9(7-12(13)16)8-18-19-14(20)10-2-4-17-5-3-10/h2-8H,1H3,(H,19,20)/b18-8-
InChIKeyDSCVUIXSXNMWSQ-LSCVHKIXSA-N
XLogP3.38
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.38
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)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 110514781
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110514983
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
2-[2-bromo-6-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 5152075
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 3873499
N-[[3-bromo-4-[2-(4-bromophenoxy)ethoxy]-5-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 5175553
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110512236

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 41270292) is N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1c(Br)cc(/C=N\NC(=O)c2ccncc2)cc1Br.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is DSCVUIXSXNMWSQ-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H11Br2N3O2/c1-21-13-11(15)6-9(7-12(13)16)8-18-19-14(20)10-2-4-17-5-3-10/h2-8H,1H3,(H,19,20)/b18-8-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 413.07 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 41270292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).