5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol

C15H25N3O2 — CID 116686352

IUPAC5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)CN2CCCC2)c1O
InChIInChI=1S/C15H25N3O2/c1-11(9-18-5-3-4-6-18)16-8-14-13(10-19)7-17-12(2)15(14)20/h7,11,16,19-20H,3-6,8-10H2,1-2H3
InChIKeyOXXSXFWUJKDTQV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.16
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol (PubChem CID 116686352) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol
PubChem CID116686352
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNC(C)CN2CCCC2)c1O
InChIInChI=1S/C15H25N3O2/c1-11(9-18-5-3-4-6-18)16-8-14-13(10-19)7-17-12(2)15(14)20/h7,11,16,19-20H,3-6,8-10H2,1-2H3
InChIKeyOXXSXFWUJKDTQV-UHFFFAOYSA-N
XLogP1.16
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol (CID 116686352) is 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol is Cc1ncc(CO)c(CNC(C)CN2CCCC2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol?
The InChIKey is OXXSXFWUJKDTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(9-18-5-3-4-6-18)16-8-14-13(10-19)7-17-12(2)15(14)20/h7,11,16,19-20H,3-6,8-10H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol has a molecular weight of 279.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 116686352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).