2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol

C21H25N5O — CID 25020305

IUPAC2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccnc(NC3CCCCC3)c2)cc2cnccc12
InChIInChI=1S/C21H25N5O/c27-11-10-24-21-18-7-8-22-14-16(18)12-19(26-21)15-6-9-23-20(13-15)25-17-4-2-1-3-5-17/h6-9,12-14,17,27H,1-5,10-11H2,(H,23,25)(H,24,26)
InChIKeyZXFOIAFJMMZVGH-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.84
Rot. Bonds6

About 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol

2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol (PubChem CID 25020305) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol
PubChem CID25020305
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccnc(NC3CCCCC3)c2)cc2cnccc12
InChIInChI=1S/C21H25N5O/c27-11-10-24-21-18-7-8-22-14-16(18)12-19(26-21)15-6-9-23-20(13-15)25-17-4-2-1-3-5-17/h6-9,12-14,17,27H,1-5,10-11H2,(H,23,25)(H,24,26)
InChIKeyZXFOIAFJMMZVGH-UHFFFAOYSA-N
XLogP3.84
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol?
The IUPAC name of 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol (CID 25020305) is 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol?
The canonical SMILES for 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol is OCCNc1nc(-c2ccnc(NC3CCCCC3)c2)cc2cnccc12.
What is the InChIKey of 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol?
The InChIKey is ZXFOIAFJMMZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-11-10-24-21-18-7-8-22-14-16(18)12-19(26-21)15-6-9-23-20(13-15)25-17-4-2-1-3-5-17/h6-9,12-14,17,27H,1-5,10-11H2,(H,23,25)(H,24,26).
What are the key properties of 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol?
2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol has a molecular weight of 363.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]amino]ethanol is sourced from PubChem (CID 25020305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).