4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile

C23H18N6O3 — CID 70924709

IUPAC4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(Nc3cc(N)c(C#N)c(Oc4ccc5c(c4)OCO5)n3)cc2)cn1
InChIInChI=1S/C23H18N6O3/c1-29-12-15(11-26-29)14-2-4-16(5-3-14)27-22-9-19(25)18(10-24)23(28-22)32-17-6-7-20-21(8-17)31-13-30-20/h2-9,11-12H,13H2,1H3,(H3,25,27,28)
InChIKeyPPFVVQHIFVTKTJ-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.20
Rot. Bonds5

About 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile

4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile (PubChem CID 70924709) has the molecular formula C23H18N6O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
PubChem CID70924709
Molecular FormulaC23H18N6O3
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC Name4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(Nc3cc(N)c(C#N)c(Oc4ccc5c(c4)OCO5)n3)cc2)cn1
InChIInChI=1S/C23H18N6O3/c1-29-12-15(11-26-29)14-2-4-16(5-3-14)27-22-9-19(25)18(10-24)23(28-22)32-17-6-7-20-21(8-17)31-13-30-20/h2-9,11-12H,13H2,1H3,(H3,25,27,28)
InChIKeyPPFVVQHIFVTKTJ-UHFFFAOYSA-N
XLogP4.20
TPSA120.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924701
4-amino-6-[4-(1,3-oxazol-5-yl)anilino]-2-phenoxypyridine-3-carbonitrile
CID 70924698
4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
CID 89105584
4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile
CID 70925025
4-amino-6-(4-methylsulfonylanilino)-2-phenoxypyridine-3-carbonitrile
CID 143926924
2-(1,3-benzodioxol-5-yloxy)-6-butyl-5-(3-hydroxyprop-1-enyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 139755968
4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile
CID 143926762
4-amino-6-[4-[2-(1H-imidazol-5-yl)ethynyl]anilino]-2-phenoxypyridine-3-carbonitrile
CID 143926739
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935
4-[[4-amino-5-cyano-6-(7,8-dihydronaphthalen-2-yloxy)-2-pyridinyl]amino]benzamide
CID 143926904
4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 70924933

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile (CID 70924709) is 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile is Cn1cc(-c2ccc(Nc3cc(N)c(C#N)c(Oc4ccc5c(c4)OCO5)n3)cc2)cn1.
What is the InChIKey of 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
The InChIKey is PPFVVQHIFVTKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3/c1-29-12-15(11-26-29)14-2-4-16(5-3-14)27-22-9-19(25)18(10-24)23(28-22)32-17-6-7-20-21(8-17)31-13-30-20/h2-9,11-12H,13H2,1H3,(H3,25,27,28).
What are the key properties of 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile has a molecular weight of 426.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,3-benzodioxol-5-yloxy)-6-[4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 70924709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).