2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol

C9H14N2O2 — CID 65314837

IUPAC2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
SMILESCc1cccnc1NC(CO)CO
InChIInChI=1S/C9H14N2O2/c1-7-3-2-4-10-9(7)11-8(5-12)6-13/h2-4,8,12-13H,5-6H2,1H3,(H,10,11)
InChIKeyPTWDUVJFSVHWQD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.16
Rot. Bonds4

About 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol

2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol (PubChem CID 65314837) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
PubChem CID65314837
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
SMILESCc1cccnc1NC(CO)CO
InChIInChI=1S/C9H14N2O2/c1-7-3-2-4-10-9(7)11-8(5-12)6-13/h2-4,8,12-13H,5-6H2,1H3,(H,10,11)
InChIKeyPTWDUVJFSVHWQD-UHFFFAOYSA-N
XLogP0.16
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol (CID 65314837) is 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol is Cc1cccnc1NC(CO)CO.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol?
The InChIKey is PTWDUVJFSVHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-3-2-4-10-9(7)11-8(5-12)6-13/h2-4,8,12-13H,5-6H2,1H3,(H,10,11).
What are the key properties of 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol?
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol has a molecular weight of 182.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol is sourced from PubChem (CID 65314837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).