N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

C15H12BrN3O — CID 6869295

IUPACN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)c1cccnc1
InChIInChI=1S/C15H12BrN3O/c16-14(9-12-5-2-1-3-6-12)11-18-19-15(20)13-7-4-8-17-10-13/h1-11H,(H,19,20)/b14-9-,18-11+
InChIKeyTVSMUAJOTDYHDE-MCVIOFPKSA-N
MW330.19 g/mol
LogP3.23
Rot. Bonds4

About N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 6869295) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID6869295
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)c1cccnc1
InChIInChI=1S/C15H12BrN3O/c16-14(9-12-5-2-1-3-6-12)11-18-19-15(20)13-7-4-8-17-10-13/h1-11H,(H,19,20)/b14-9-,18-11+
InChIKeyTVSMUAJOTDYHDE-MCVIOFPKSA-N
XLogP3.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
CID 5060997
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-(diethylamino)benzamide
CID 6902093
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3,4,5-triethoxybenzamide
CID 2352270
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
5-bromo-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 6896293
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (CID 6869295) is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is O=C(N/N=C/C(Br)=C/c1ccccc1)c1cccnc1.
What is the InChIKey of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is TVSMUAJOTDYHDE-MCVIOFPKSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-14(9-12-5-2-1-3-6-12)11-18-19-15(20)13-7-4-8-17-10-13/h1-11H,(H,19,20)/b14-9-,18-11+.
What are the key properties of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 330.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 6869295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).