1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H16N6O — CID 91949088

IUPAC1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16N6O/c24-16(14-12-18-11-13-3-1-4-19-15(13)14)22-7-9-23(10-8-22)17-20-5-2-6-21-17/h1-6,11-12H,7-10H2
InChIKeyBMDGFHXCXTXVGC-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.38
Rot. Bonds2

About 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 91949088) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID91949088
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16N6O/c24-16(14-12-18-11-13-3-1-4-19-15(13)14)22-7-9-23(10-8-22)17-20-5-2-6-21-17/h1-6,11-12H,7-10H2
InChIKeyBMDGFHXCXTXVGC-UHFFFAOYSA-N
XLogP1.38
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 91949088) is 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cncc2cccnc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BMDGFHXCXTXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c24-16(14-12-18-11-13-3-1-4-19-15(13)14)22-7-9-23(10-8-22)17-20-5-2-6-21-17/h1-6,11-12H,7-10H2.
What are the key properties of 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 320.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-naphthyridin-8-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 91949088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).