N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide

C16H12BrN3O2 — CID 4071784

IUPACN-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESC#CCOc1ccc(Br)c(C=NNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H12BrN3O2/c1-2-8-22-14-5-6-15(17)13(9-14)11-19-20-16(21)12-4-3-7-18-10-12/h1,3-7,9-11H,8H2,(H,20,21)
InChIKeyFTXGAABWLHFUQQ-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.62
Rot. Bonds5

About N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide

N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 4071784) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID4071784
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESC#CCOc1ccc(Br)c(C=NNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H12BrN3O2/c1-2-8-22-14-5-6-15(17)13(9-14)11-19-20-16(21)12-4-3-7-18-10-12/h1,3-7,9-11H,8H2,(H,20,21)
InChIKeyFTXGAABWLHFUQQ-UHFFFAOYSA-N
XLogP2.62
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.62
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 2451408
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591232
N-[(E)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6874050
2-(benzenesulfonamido)-N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 6083442
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-1-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxamide
CID 4061034
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
CID 139204410
methyl 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 5426337
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 4071784) is N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide is C#CCOc1ccc(Br)c(C=NNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is FTXGAABWLHFUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-2-8-22-14-5-6-15(17)13(9-14)11-19-20-16(21)12-4-3-7-18-10-12/h1,3-7,9-11H,8H2,(H,20,21).
What are the key properties of N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4071784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).