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

C20H20N6O — CID 70924933

IUPAC4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Nc2ccc(-c3cnco3)cc2)nc1NC1CCCC1
InChIInChI=1S/C20H20N6O/c21-10-16-17(22)9-19(26-20(16)25-14-3-1-2-4-14)24-15-7-5-13(6-8-15)18-11-23-12-27-18/h5-9,11-12,14H,1-4H2,(H4,22,24,25,26)
InChIKeyGOQQHJYEBVJQOD-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.29
Rot. Bonds5

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

4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile (PubChem CID 70924933) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
PubChem CID70924933
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(Nc2ccc(-c3cnco3)cc2)nc1NC1CCCC1
InChIInChI=1S/C20H20N6O/c21-10-16-17(22)9-19(26-20(16)25-14-3-1-2-4-14)24-15-7-5-13(6-8-15)18-11-23-12-27-18/h5-9,11-12,14H,1-4H2,(H4,22,24,25,26)
InChIKeyGOQQHJYEBVJQOD-UHFFFAOYSA-N
XLogP4.29
TPSA112.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile (CID 70924933) is 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile is N#Cc1c(N)cc(Nc2ccc(-c3cnco3)cc2)nc1NC1CCCC1.
What is the InChIKey of 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
The InChIKey is GOQQHJYEBVJQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c21-10-16-17(22)9-19(26-20(16)25-14-3-1-2-4-14)24-15-7-5-13(6-8-15)18-11-23-12-27-18/h5-9,11-12,14H,1-4H2,(H4,22,24,25,26).
What are the key properties of 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile?
4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopentylamino)-6-[4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 70924933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).