5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol

C14H20N4O2 — CID 116686533

IUPAC5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol
SMILESCCC(NCc1c(CO)cnc(C)c1O)c1ncc[nH]1
InChIInChI=1S/C14H20N4O2/c1-3-12(14-15-4-5-16-14)18-7-11-10(8-19)6-17-9(2)13(11)20/h4-6,12,18-20H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyUXBVJKOWVYSBRX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds6

About 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol (PubChem CID 116686533) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol
PubChem CID116686533
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol
SMILESCCC(NCc1c(CO)cnc(C)c1O)c1ncc[nH]1
InChIInChI=1S/C14H20N4O2/c1-3-12(14-15-4-5-16-14)18-7-11-10(8-19)6-17-9(2)13(11)20/h4-6,12,18-20H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyUXBVJKOWVYSBRX-UHFFFAOYSA-N
XLogP1.55
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44393853
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CID 44368775
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CID 56707283
CID 56707283
CID 167311793
CID 167311793
CID 95207146
CID 95207146
CID 135532669
CID 135532669
CID 136163971
CID 136163971
CID 143864647
CID 143864647
CID 143864666
CID 143864666
CID 170220645
CID 170220645

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol (CID 116686533) is 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol is CCC(NCc1c(CO)cnc(C)c1O)c1ncc[nH]1.
What is the InChIKey of 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol?
The InChIKey is UXBVJKOWVYSBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-12(14-15-4-5-16-14)18-7-11-10(8-19)6-17-9(2)13(11)20/h4-6,12,18-20H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol has a molecular weight of 276.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[[1-(1H-imidazol-2-yl)propylamino]methyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 116686533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).