N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide

C15H14BrN3O2 — CID 5338029

IUPACN-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(CO)nc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O2/c1-10(11-2-5-13(16)6-3-11)18-19-15(21)12-4-7-14(9-20)17-8-12/h2-8,20H,9H2,1H3,(H,19,21)/b18-10-
InChIKeyHLVSWXUJIYPMQZ-ZDLGFXPLSA-N
MW348.20 g/mol
LogP2.49
Rot. Bonds4

About N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide (PubChem CID 5338029) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide
PubChem CID5338029
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(CO)nc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O2/c1-10(11-2-5-13(16)6-3-11)18-19-15(21)12-4-7-14(9-20)17-8-12/h2-8,20H,9H2,1H3,(H,19,21)/b18-10-
InChIKeyHLVSWXUJIYPMQZ-ZDLGFXPLSA-N
XLogP2.49
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
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)-1-(4-bromophenyl)ethylideneamino]-6-methylpyridine-3-carboxamide
CID 5370928
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide (CID 5338029) is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide is C/C(=N/NC(=O)c1ccc(CO)nc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
The InChIKey is HLVSWXUJIYPMQZ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-10(11-2-5-13(16)6-3-11)18-19-15(21)12-4-7-14(9-20)17-8-12/h2-8,20H,9H2,1H3,(H,19,21)/b18-10-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 5338029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).