6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol

C12H16N2O — CID 116643034

IUPAC6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
SMILESCC#CCCNCc1nc(C)ccc1O
InChIInChI=1S/C12H16N2O/c1-3-4-5-8-13-9-11-12(15)7-6-10(2)14-11/h6-7,13,15H,5,8-9H2,1-2H3
InChIKeyXFWIKQOAIKKCRL-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.60
Rot. Bonds4

About 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol

6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol (PubChem CID 116643034) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
PubChem CID116643034
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
SMILESCC#CCCNCc1nc(C)ccc1O
InChIInChI=1S/C12H16N2O/c1-3-4-5-8-13-9-11-12(15)7-6-10(2)14-11/h6-7,13,15H,5,8-9H2,1-2H3
InChIKeyXFWIKQOAIKKCRL-UHFFFAOYSA-N
XLogP1.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol (CID 116643034) is 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol is CC#CCCNCc1nc(C)ccc1O.
What is the InChIKey of 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol?
The InChIKey is XFWIKQOAIKKCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-4-5-8-13-9-11-12(15)7-6-10(2)14-11/h6-7,13,15H,5,8-9H2,1-2H3.
What are the key properties of 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol?
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol has a molecular weight of 204.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 116643034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).