N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide

C22H17N5O — CID 24665445

IUPACN-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C22H17N5O/c28-22(19-11-12-20(24-15-19)27-14-13-23-16-27)26-25-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H,(H,26,28)
InChIKeyPYOBFPVJMYLEQE-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.45
Rot. Bonds5

About N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide

N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 24665445) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID24665445
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C22H17N5O/c28-22(19-11-12-20(24-15-19)27-14-13-23-16-27)26-25-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H,(H,26,28)
InChIKeyPYOBFPVJMYLEQE-UHFFFAOYSA-N
XLogP3.45
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 37064847
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide
CID 46541768
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 51647219

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide (CID 24665445) is N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide is O=C(NN=C(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is PYOBFPVJMYLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22(19-11-12-20(24-15-19)27-14-13-23-16-27)26-25-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H,(H,26,28).
What are the key properties of N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 24665445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).