5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol

C15H18N2O2 — CID 20914681

IUPAC5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol
SMILESCc1cccc(NCc2c(CO)cnc(C)c2O)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-3-5-13(6-10)17-8-14-12(9-18)7-16-11(2)15(14)19/h3-7,17-19H,8-9H2,1-2H3
InChIKeyGRVWHSWXJKWGDR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.51
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol (PubChem CID 20914681) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol
PubChem CID20914681
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol
SMILESCc1cccc(NCc2c(CO)cnc(C)c2O)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-3-5-13(6-10)17-8-14-12(9-18)7-16-11(2)15(14)19/h3-7,17-19H,8-9H2,1-2H3
InChIKeyGRVWHSWXJKWGDR-UHFFFAOYSA-N
XLogP2.51
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol (CID 20914681) is 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol is Cc1cccc(NCc2c(CO)cnc(C)c2O)c1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol?
The InChIKey is GRVWHSWXJKWGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-3-5-13(6-10)17-8-14-12(9-18)7-16-11(2)15(14)19/h3-7,17-19H,8-9H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 20914681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).