4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile

C11H15N3O3 — CID 107852402

IUPAC4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNC(CO)(CO)CO)ccn1
InChIInChI=1S/C11H15N3O3/c12-4-10-3-9(1-2-13-10)5-14-11(6-15,7-16)8-17/h1-3,14-17H,5-8H2
InChIKeyFPLOKLHCLGYEHN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.24
Rot. Bonds6

About 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile

4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile (PubChem CID 107852402) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile
PubChem CID107852402
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNC(CO)(CO)CO)ccn1
InChIInChI=1S/C11H15N3O3/c12-4-10-3-9(1-2-13-10)5-14-11(6-15,7-16)8-17/h1-3,14-17H,5-8H2
InChIKeyFPLOKLHCLGYEHN-UHFFFAOYSA-N
XLogP-1.24
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile (CID 107852402) is 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile is N#Cc1cc(CNC(CO)(CO)CO)ccn1.
What is the InChIKey of 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile?
The InChIKey is FPLOKLHCLGYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-4-10-3-9(1-2-13-10)5-14-11(6-15,7-16)8-17/h1-3,14-17H,5-8H2.
What are the key properties of 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile?
4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of -1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107852402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).