N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide

C14H12BrN3O2 — CID 6868779

IUPACN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C14H12BrN3O2/c1-20-13-5-4-12(15)7-11(13)9-17-18-14(19)10-3-2-6-16-8-10/h2-9H,1H3,(H,18,19)/b17-9+
InChIKeySGTXMGIZKZWYGL-RQZCQDPDSA-N
MW334.17 g/mol
LogP2.62
Rot. Bonds4

About N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6868779) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6868779
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C14H12BrN3O2/c1-20-13-5-4-12(15)7-11(13)9-17-18-14(19)10-3-2-6-16-8-10/h2-9H,1H3,(H,18,19)/b17-9+
InChIKeySGTXMGIZKZWYGL-RQZCQDPDSA-N
XLogP2.62
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 6868779) is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide is COc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1.
What is the InChIKey of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is SGTXMGIZKZWYGL-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-20-13-5-4-12(15)7-11(13)9-17-18-14(19)10-3-2-6-16-8-10/h2-9H,1H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6868779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).