5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile

C16H16N4 — CID 62304916

IUPAC5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NC1CCc2ccccc2C1
InChIInChI=1S/C16H16N4/c17-9-13-7-14(18)10-19-16(13)20-15-6-5-11-3-1-2-4-12(11)8-15/h1-4,7,10,15H,5-6,8,18H2,(H,19,20)
InChIKeyUGSNPYSQMMWVBY-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.50
Rot. Bonds2

About 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile

5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile (PubChem CID 62304916) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile
PubChem CID62304916
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NC1CCc2ccccc2C1
InChIInChI=1S/C16H16N4/c17-9-13-7-14(18)10-19-16(13)20-15-6-5-11-3-1-2-4-12(11)8-15/h1-4,7,10,15H,5-6,8,18H2,(H,19,20)
InChIKeyUGSNPYSQMMWVBY-UHFFFAOYSA-N
XLogP2.50
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile (CID 62304916) is 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NC1CCc2ccccc2C1.
What is the InChIKey of 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is UGSNPYSQMMWVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-9-13-7-14(18)10-19-16(13)20-15-6-5-11-3-1-2-4-12(11)8-15/h1-4,7,10,15H,5-6,8,18H2,(H,19,20).
What are the key properties of 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile?
5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62304916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).