3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile

C22H22N4O — CID 10089791

IUPAC3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N3CCC(CCO)CC3)cc3cccnc23)c1
InChIInChI=1S/C22H22N4O/c23-15-17-3-1-4-18(13-17)22-21-19(5-2-9-24-21)14-20(25-22)26-10-6-16(7-11-26)8-12-27/h1-5,9,13-14,16,27H,6-8,10-12H2
InChIKeyCJHGYJUYPAHXGP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.77
Rot. Bonds4

About 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile

3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile (PubChem CID 10089791) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
PubChem CID10089791
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N3CCC(CCO)CC3)cc3cccnc23)c1
InChIInChI=1S/C22H22N4O/c23-15-17-3-1-4-18(13-17)22-21-19(5-2-9-24-21)14-20(25-22)26-10-6-16(7-11-26)8-12-27/h1-5,9,13-14,16,27H,6-8,10-12H2
InChIKeyCJHGYJUYPAHXGP-UHFFFAOYSA-N
XLogP3.77
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid
CID 10317223
3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10341658
[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate
CID 91536421
3-quinolin-8-ylbenzonitrile
CID 4189045
3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
CID 114697653
3-(2-cyclopropyl-3-pyridinyl)benzonitrile
CID 22317919
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 111338613
3-[[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methylamino]methyl]benzonitrile
CID 47625903
3-[6,7-dichloro-3-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]quinoxalin-2-yl]benzonitrile
CID 171505436
2-[1-[5-(1-benzothiophen-2-yl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 146172074
(1-quinolin-8-ylpyrrolidin-3-yl)methanol
CID 64863292

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The IUPAC name of 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile (CID 10089791) is 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile.
What is the SMILES notation for 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The canonical SMILES for 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile is N#Cc1cccc(-c2nc(N3CCC(CCO)CC3)cc3cccnc23)c1.
What is the InChIKey of 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The InChIKey is CJHGYJUYPAHXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-15-17-3-1-4-18(13-17)22-21-19(5-2-9-24-21)14-20(25-22)26-10-6-16(7-11-26)8-12-27/h1-5,9,13-14,16,27H,6-8,10-12H2.
What are the key properties of 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile has a molecular weight of 358.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile is sourced from PubChem (CID 10089791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).