5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol

C16H27N3O2 — CID 116686346

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNCC2CCN(C(C)C)C2)c1O
InChIInChI=1S/C16H27N3O2/c1-11(2)19-5-4-13(9-19)6-17-8-15-14(10-20)7-18-12(3)16(15)21/h7,11,13,17,20-21H,4-6,8-10H2,1-3H3
InChIKeyIGHRRMZPTYMELG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.41
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol (PubChem CID 116686346) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol
PubChem CID116686346
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CNCC2CCN(C(C)C)C2)c1O
InChIInChI=1S/C16H27N3O2/c1-11(2)19-5-4-13(9-19)6-17-8-15-14(10-20)7-18-12(3)16(15)21/h7,11,13,17,20-21H,4-6,8-10H2,1-3H3
InChIKeyIGHRRMZPTYMELG-UHFFFAOYSA-N
XLogP1.41
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol with MolForge

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 116686364
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62474594
5-(hydroxymethyl)-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
CID 116686454
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 104956480
4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]benzene-1,2-diol
CID 61208305
5-(hydroxymethyl)-2-methyl-4-[(pent-4-yn-2-ylamino)methyl]pyridin-3-ol
CID 116686523
N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 62351902
N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61206615
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 61208707
5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 115742672
5-(hydroxymethyl)-2-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyridin-3-ol
CID 116686398
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol (CID 116686346) is 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol is Cc1ncc(CO)c(CNCC2CCN(C(C)C)C2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol?
The InChIKey is IGHRRMZPTYMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)19-5-4-13(9-19)6-17-8-15-14(10-20)7-18-12(3)16(15)21/h7,11,13,17,20-21H,4-6,8-10H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol has a molecular weight of 293.41 g/mol, XLogP of 1.41, 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-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 116686346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).