5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide

C17H19BrN4O — CID 1381844

IUPAC5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C17H19BrN4O/c1-3-22(4-2)16-7-5-13(6-8-16)10-20-21-17(23)14-9-15(18)12-19-11-14/h5-12H,3-4H2,1-2H3,(H,21,23)
InChIKeyAJAQRMAVJIIIFM-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.45
Rot. Bonds6

About 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide

5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 1381844) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID1381844
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C17H19BrN4O/c1-3-22(4-2)16-7-5-13(6-8-16)10-20-21-17(23)14-9-15(18)12-19-11-14/h5-12H,3-4H2,1-2H3,(H,21,23)
InChIKeyAJAQRMAVJIIIFM-UHFFFAOYSA-N
XLogP3.45
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.45
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

5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
5-bromo-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 5437060
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1048926
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
CID 2378017
5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136794132
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide (CID 1381844) is 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide is CCN(CC)c1ccc(C=NNC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is AJAQRMAVJIIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-3-22(4-2)16-7-5-13(6-8-16)10-20-21-17(23)14-9-15(18)12-19-11-14/h5-12H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 1381844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).