4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile

C22H17N5O3 — CID 70924701

IUPAC4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
SMILESCOc1cccc(Oc2nc(Nc3ccc(-c4cnco4)cc3)cc(N)c2C#N)c1
InChIInChI=1S/C22H17N5O3/c1-28-16-3-2-4-17(9-16)30-22-18(11-23)19(24)10-21(27-22)26-15-7-5-14(6-8-15)20-12-25-13-29-20/h2-10,12-13H,1H3,(H3,24,26,27)
InChIKeyBLPBTRZIMBEAPK-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.73
Rot. Bonds6

About 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile

4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile (PubChem CID 70924701) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
PubChem CID70924701
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
SMILESCOc1cccc(Oc2nc(Nc3ccc(-c4cnco4)cc3)cc(N)c2C#N)c1
InChIInChI=1S/C22H17N5O3/c1-28-16-3-2-4-17(9-16)30-22-18(11-23)19(24)10-21(27-22)26-15-7-5-14(6-8-15)20-12-25-13-29-20/h2-10,12-13H,1H3,(H3,24,26,27)
InChIKeyBLPBTRZIMBEAPK-UHFFFAOYSA-N
XLogP4.73
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile (CID 70924701) is 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile is COc1cccc(Oc2nc(Nc3ccc(-c4cnco4)cc3)cc(N)c2C#N)c1.
What is the InChIKey of 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
The InChIKey is BLPBTRZIMBEAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-28-16-3-2-4-17(9-16)30-22-18(11-23)19(24)10-21(27-22)26-15-7-5-14(6-8-15)20-12-25-13-29-20/h2-10,12-13H,1H3,(H3,24,26,27).
What are the key properties of 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile has a molecular weight of 399.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methoxyphenoxy)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 70924701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).