5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol

C17H23N3O2 — CID 95230670

IUPAC5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol
SMILESCC[C@H](c1cccnc1)N(C)Cc1c(CO)cnc(C)c1O
InChIInChI=1S/C17H23N3O2/c1-4-16(13-6-5-7-18-8-13)20(3)10-15-14(11-21)9-19-12(2)17(15)22/h5-9,16,21-22H,4,10-11H2,1-3H3/t16-/m1/s1
InChIKeyZMECWEGCWCWGQA-MRXNPFEDSA-N
MW301.39 g/mol
LogP2.57
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol (PubChem CID 95230670) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol
PubChem CID95230670
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol
SMILESCC[C@H](c1cccnc1)N(C)Cc1c(CO)cnc(C)c1O
InChIInChI=1S/C17H23N3O2/c1-4-16(13-6-5-7-18-8-13)20(3)10-15-14(11-21)9-19-12(2)17(15)22/h5-9,16,21-22H,4,10-11H2,1-3H3/t16-/m1/s1
InChIKeyZMECWEGCWCWGQA-MRXNPFEDSA-N
XLogP2.57
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol with MolForge

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol
CID 56721630
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine
CID 95131581
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
4-[[2-aminoethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 57132487
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 56714057
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
CID 158995551
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol (CID 95230670) is 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol is CC[C@H](c1cccnc1)N(C)Cc1c(CO)cnc(C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol?
The InChIKey is ZMECWEGCWCWGQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-16(13-6-5-7-18-8-13)20(3)10-15-14(11-21)9-19-12(2)17(15)22/h5-9,16,21-22H,4,10-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 95230670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).