N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine

C23H19N3 — CID 139367370

IUPACN-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine
SMILESc1ccc2cc(-c3ncc(NC4CC4)cc3-c3ccncc3)ccc2c1
InChIInChI=1S/C23H19N3/c1-2-4-18-13-19(6-5-16(18)3-1)23-22(17-9-11-24-12-10-17)14-21(15-25-23)26-20-7-8-20/h1-6,9-15,20,26H,7-8H2
InChIKeyCLGVYJJTCMLJBT-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.54
Rot. Bonds4

About N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine

N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine (PubChem CID 139367370) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine
PubChem CID139367370
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC NameN-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine
SMILESc1ccc2cc(-c3ncc(NC4CC4)cc3-c3ccncc3)ccc2c1
InChIInChI=1S/C23H19N3/c1-2-4-18-13-19(6-5-16(18)3-1)23-22(17-9-11-24-12-10-17)14-21(15-25-23)26-20-7-8-20/h1-6,9-15,20,26H,7-8H2
InChIKeyCLGVYJJTCMLJBT-UHFFFAOYSA-N
XLogP5.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine?
The IUPAC name of N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine (CID 139367370) is N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine?
The canonical SMILES for N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine is c1ccc2cc(-c3ncc(NC4CC4)cc3-c3ccncc3)ccc2c1.
What is the InChIKey of N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine?
The InChIKey is CLGVYJJTCMLJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-2-4-18-13-19(6-5-16(18)3-1)23-22(17-9-11-24-12-10-17)14-21(15-25-23)26-20-7-8-20/h1-6,9-15,20,26H,7-8H2.
What are the key properties of N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine?
N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine has a molecular weight of 337.43 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-3-amine is sourced from PubChem (CID 139367370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).