4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C16H20N2O2 — CID 6625972

IUPAC4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCCc1ccccc1NCc1c(CO)cnc(C)c1O
InChIInChI=1S/C16H20N2O2/c1-3-12-6-4-5-7-15(12)18-9-14-13(10-19)8-17-11(2)16(14)20/h4-8,18-20H,3,9-10H2,1-2H3
InChIKeyKSWMZWWYMRXHDF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.76
Rot. Bonds5

About 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 6625972) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID6625972
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCCc1ccccc1NCc1c(CO)cnc(C)c1O
InChIInChI=1S/C16H20N2O2/c1-3-12-6-4-5-7-15(12)18-9-14-13(10-19)8-17-11(2)16(14)20/h4-8,18-20H,3,9-10H2,1-2H3
InChIKeyKSWMZWWYMRXHDF-UHFFFAOYSA-N
XLogP2.76
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 6625972) is 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is CCc1ccccc1NCc1c(CO)cnc(C)c1O.
What is the InChIKey of 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is KSWMZWWYMRXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-12-6-4-5-7-15(12)18-9-14-13(10-19)8-17-11(2)16(14)20/h4-8,18-20H,3,9-10H2,1-2H3.
What are the key properties of 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 272.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 6625972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).