2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine

C21H13N5 — CID 44725605

IUPAC2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine
SMILESc1cc(-c2ccc3cccnc3n2)nc(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C21H13N5/c1-6-16(18-10-8-14-4-2-12-22-20(14)25-18)24-17(7-1)19-11-9-15-5-3-13-23-21(15)26-19/h1-13H
InChIKeyGCWQHGOOKSHNBK-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.30
Rot. Bonds2

About 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine

2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine (PubChem CID 44725605) has the molecular formula C21H13N5 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine
PubChem CID44725605
Molecular FormulaC21H13N5
Molecular Weight335.37 g/mol
Exact Mass335.12
IUPAC Name2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine
SMILESc1cc(-c2ccc3cccnc3n2)nc(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C21H13N5/c1-6-16(18-10-8-14-4-2-12-22-20(14)25-18)24-17(7-1)19-11-9-15-5-3-13-23-21(15)26-19/h1-13H
InChIKeyGCWQHGOOKSHNBK-UHFFFAOYSA-N
XLogP4.30
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine (CID 44725605) is 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine is c1cc(-c2ccc3cccnc3n2)nc(-c2ccc3cccnc3n2)c1.
What is the InChIKey of 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine?
The InChIKey is GCWQHGOOKSHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5/c1-6-16(18-10-8-14-4-2-12-22-20(14)25-18)24-17(7-1)19-11-9-15-5-3-13-23-21(15)26-19/h1-13H.
What are the key properties of 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine?
2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine has a molecular weight of 335.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,8-naphthyridin-2-yl)-2-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 44725605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).