1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one

C20H24N2O — CID 165075954

IUPAC1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one
SMILESCCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)CCCC2
InChIInChI=1S/C20H24N2O/c1-2-3-10-19(23)16-13-15-8-4-5-9-17(15)18(14-16)22-20-11-6-7-12-21-20/h6-7,11-14H,2-5,8-10H2,1H3,(H,21,22)
InChIKeyUHOJBYGIKANOQB-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.08
Rot. Bonds6

About 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one

1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one (PubChem CID 165075954) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one
PubChem CID165075954
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one
SMILESCCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)CCCC2
InChIInChI=1S/C20H24N2O/c1-2-3-10-19(23)16-13-15-8-4-5-9-17(15)18(14-16)22-20-11-6-7-12-21-20/h6-7,11-14H,2-5,8-10H2,1H3,(H,21,22)
InChIKeyUHOJBYGIKANOQB-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one?
The IUPAC name of 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one (CID 165075954) is 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one?
The canonical SMILES for 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one is CCCCC(=O)c1cc2c(c(Nc3ccccn3)c1)CCCC2.
What is the InChIKey of 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one?
The InChIKey is UHOJBYGIKANOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-3-10-19(23)16-13-15-8-4-5-9-17(15)18(14-16)22-20-11-6-7-12-21-20/h6-7,11-14H,2-5,8-10H2,1H3,(H,21,22).
What are the key properties of 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one?
1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one has a molecular weight of 308.42 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one is sourced from PubChem (CID 165075954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).