4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile

C23H16N6O — CID 143926739

IUPAC4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Nc2ccc(C#Cc3cnc[nH]3)cc2)nc1Oc1ccccc1
InChIInChI=1S/C23H16N6O/c24-13-20-21(25)12-22(29-23(20)30-19-4-2-1-3-5-19)28-17-9-6-16(7-10-17)8-11-18-14-26-15-27-18/h1-7,9-10,12,14-15H,(H,26,27)(H3,25,28,29)
InChIKeyMCMAWSIURBAKNE-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.19
Rot. Bonds4

About 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile

4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile (PubChem CID 143926739) has the molecular formula C23H16N6O and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
PubChem CID143926739
Molecular FormulaC23H16N6O
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Nc2ccc(C#Cc3cnc[nH]3)cc2)nc1Oc1ccccc1
InChIInChI=1S/C23H16N6O/c24-13-20-21(25)12-22(29-23(20)30-19-4-2-1-3-5-19)28-17-9-6-16(7-10-17)8-11-18-14-26-15-27-18/h1-7,9-10,12,14-15H,(H,26,27)(H3,25,28,29)
InChIKeyMCMAWSIURBAKNE-UHFFFAOYSA-N
XLogP4.19
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-[4-(1,3-oxazol-5-yl)anilino]-2-phenoxypyridine-3-carbonitrile
CID 70924698
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
CID 143926924
4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
4-amino-2-phenoxy-6-[4-(piperazin-1-ylmethyl)anilino]pyridine-3-carbonitrile
CID 143926928
4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924701
4-[[4-methyl-6-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112931853
4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
CID 70924709
4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile
CID 70924926
4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide
CID 143926904
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile (CID 143926739) is 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile is N#Cc1c(N)cc(Nc2ccc(C#Cc3cnc[nH]3)cc2)nc1Oc1ccccc1.
What is the InChIKey of 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile?
The InChIKey is MCMAWSIURBAKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O/c24-13-20-21(25)12-22(29-23(20)30-19-4-2-1-3-5-19)28-17-9-6-16(7-10-17)8-11-18-14-26-15-27-18/h1-7,9-10,12,14-15H,(H,26,27)(H3,25,28,29).
What are the key properties of 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile?
4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile has a molecular weight of 392.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile is sourced from PubChem (CID 143926739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).