4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile

C16H16N4O — CID 43261601

IUPAC4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc(N)c(OCC3CC3)n2)cc1
InChIInChI=1S/C16H16N4O/c17-9-11-3-5-13(6-4-11)19-15-8-7-14(18)16(20-15)21-10-12-1-2-12/h3-8,12H,1-2,10,18H2,(H,19,20)
InChIKeySDJJKUVOOIFDGY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.07
Rot. Bonds5

About 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile

4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile (PubChem CID 43261601) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile
PubChem CID43261601
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc(N)c(OCC3CC3)n2)cc1
InChIInChI=1S/C16H16N4O/c17-9-11-3-5-13(6-4-11)19-15-8-7-14(18)16(20-15)21-10-12-1-2-12/h3-8,12H,1-2,10,18H2,(H,19,20)
InChIKeySDJJKUVOOIFDGY-UHFFFAOYSA-N
XLogP3.07
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile (CID 43261601) is 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile is N#Cc1ccc(Nc2ccc(N)c(OCC3CC3)n2)cc1.
What is the InChIKey of 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile?
The InChIKey is SDJJKUVOOIFDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-11-3-5-13(6-4-11)19-15-8-7-14(18)16(20-15)21-10-12-1-2-12/h3-8,12H,1-2,10,18H2,(H,19,20).
What are the key properties of 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile?
4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile has a molecular weight of 280.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 43261601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).