5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide

C17H12BrN3O2 — CID 135472652

IUPAC5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1cncc(Br)c1
InChIInChI=1S/C17H12BrN3O2/c18-13-7-12(8-19-9-13)17(23)21-20-10-15-14-4-2-1-3-11(14)5-6-16(15)22/h1-10,22H,(H,21,23)/b20-10-
InChIKeyIWOHZWZWRCQEFS-JMIUGGIZSA-N
MW370.21 g/mol
LogP3.47
Rot. Bonds3

About 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135472652) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID135472652
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1cncc(Br)c1
InChIInChI=1S/C17H12BrN3O2/c18-13-7-12(8-19-9-13)17(23)21-20-10-15-14-4-2-1-3-11(14)5-6-16(15)22/h1-10,22H,(H,21,23)/b20-10-
InChIKeyIWOHZWZWRCQEFS-JMIUGGIZSA-N
XLogP3.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide (CID 135472652) is 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1c(O)ccc2ccccc12)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is IWOHZWZWRCQEFS-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-13-7-12(8-19-9-13)17(23)21-20-10-15-14-4-2-1-3-11(14)5-6-16(15)22/h1-10,22H,(H,21,23)/b20-10-.
What are the key properties of 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 370.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135472652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).