N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine

C16H11N5 — CID 45117995

IUPACN-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine
SMILESc1cnc2nc(Nc3ccc4cccnc4n3)ccc2c1
InChIInChI=1S/C16H11N5/c1-3-11-5-7-13(20-15(11)17-9-1)19-14-8-6-12-4-2-10-18-16(12)21-14/h1-10H,(H,17,18,19,20,21)
InChIKeyWHWJUDAUINHLTE-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.32
Rot. Bonds2

About N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine

N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine (PubChem CID 45117995) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine
PubChem CID45117995
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC NameN-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine
SMILESc1cnc2nc(Nc3ccc4cccnc4n3)ccc2c1
InChIInChI=1S/C16H11N5/c1-3-11-5-7-13(20-15(11)17-9-1)19-14-8-6-12-4-2-10-18-16(12)21-14/h1-10H,(H,17,18,19,20,21)
InChIKeyWHWJUDAUINHLTE-UHFFFAOYSA-N
XLogP3.32
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine (CID 45117995) is N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine is c1cnc2nc(Nc3ccc4cccnc4n3)ccc2c1.
What is the InChIKey of N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine?
The InChIKey is WHWJUDAUINHLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-3-11-5-7-13(20-15(11)17-9-1)19-14-8-6-12-4-2-10-18-16(12)21-14/h1-10H,(H,17,18,19,20,21).
What are the key properties of N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine?
N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 45117995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).