3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile

C21H20N4O — CID 10246912

IUPAC3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N3CCC(CO)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H20N4O/c22-13-16-3-1-4-17(11-16)21-20-18(5-2-8-23-20)12-19(24-21)25-9-6-15(14-26)7-10-25/h1-5,8,11-12,15,26H,6-7,9-10,14H2
InChIKeyMAYWACNVGOUYEQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.38
Rot. Bonds3

About 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile

3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile (PubChem CID 10246912) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
PubChem CID10246912
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N3CCC(CO)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H20N4O/c22-13-16-3-1-4-17(11-16)21-20-18(5-2-8-23-20)12-19(24-21)25-9-6-15(14-26)7-10-25/h1-5,8,11-12,15,26H,6-7,9-10,14H2
InChIKeyMAYWACNVGOUYEQ-UHFFFAOYSA-N
XLogP3.38
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The IUPAC name of 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile (CID 10246912) is 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile.
What is the SMILES notation for 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The canonical SMILES for 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile is N#Cc1cccc(-c2nc(N3CCC(CO)CC3)cc3cccnc23)c1.
What is the InChIKey of 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The InChIKey is MAYWACNVGOUYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c22-13-16-3-1-4-17(11-16)21-20-18(5-2-8-23-20)12-19(24-21)25-9-6-15(14-26)7-10-25/h1-5,8,11-12,15,26H,6-7,9-10,14H2.
What are the key properties of 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile has a molecular weight of 344.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(hydroxymethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile is sourced from PubChem (CID 10246912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).