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

C16H15N3 — CID 62306308

IUPAC2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C16H15N3/c17-11-12-7-8-18-16(9-12)19-15-6-5-13-3-1-2-4-14(13)10-15/h1-4,7-9,15H,5-6,10H2,(H,18,19)
InChIKeyIXMYAWCWNIAUGE-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.92
Rot. Bonds2

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

2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile (PubChem CID 62306308) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile
PubChem CID62306308
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C16H15N3/c17-11-12-7-8-18-16(9-12)19-15-6-5-13-3-1-2-4-14(13)10-15/h1-4,7-9,15H,5-6,10H2,(H,18,19)
InChIKeyIXMYAWCWNIAUGE-UHFFFAOYSA-N
XLogP2.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile (CID 62306308) is 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NC2CCc3ccccc3C2)c1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is IXMYAWCWNIAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-11-12-7-8-18-16(9-12)19-15-6-5-13-3-1-2-4-14(13)10-15/h1-4,7-9,15H,5-6,10H2,(H,18,19).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile?
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 62306308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).