2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol

C19H26N2O2 — CID 152621035

IUPAC2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C2=CC(CC3CCOCC3)CC=N2)cn1
InChIInChI=1S/C19H26N2O2/c1-19(2,22)18-4-3-16(13-21-18)17-12-15(5-8-20-17)11-14-6-9-23-10-7-14/h3-4,8,12-15,22H,5-7,9-11H2,1-2H3
InChIKeyZBNFSCOSALYNEY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.56
Rot. Bonds4

About 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol

2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol (PubChem CID 152621035) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol
PubChem CID152621035
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C2=CC(CC3CCOCC3)CC=N2)cn1
InChIInChI=1S/C19H26N2O2/c1-19(2,22)18-4-3-16(13-21-18)17-12-15(5-8-20-17)11-14-6-9-23-10-7-14/h3-4,8,12-15,22H,5-7,9-11H2,1-2H3
InChIKeyZBNFSCOSALYNEY-UHFFFAOYSA-N
XLogP3.56
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
CID 59453120
2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol
CID 141403052
2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
CID 112585844
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 159072734
1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol
CID 83125004
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515189
2-[5-[3-(aminomethyl)-2-pyridinyl]-2-pyridinyl]propan-2-ol
CID 175948471
4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol
CID 83075141
5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58093049
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 141286283
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966698

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol (CID 152621035) is 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(C2=CC(CC3CCOCC3)CC=N2)cn1.
What is the InChIKey of 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is ZBNFSCOSALYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,22)18-4-3-16(13-21-18)17-12-15(5-8-20-17)11-14-6-9-23-10-7-14/h3-4,8,12-15,22H,5-7,9-11H2,1-2H3.
What are the key properties of 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol?
2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(oxan-4-ylmethyl)-3,4-dihydropyridin-6-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 152621035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).