[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol

C13H15N3O — CID 61255837

IUPAC[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
SMILESCN(Cc1ccncc1)c1ccnc(CO)c1
InChIInChI=1S/C13H15N3O/c1-16(9-11-2-5-14-6-3-11)13-4-7-15-12(8-13)10-17/h2-8,17H,9-10H2,1H3
InChIKeyVCHBYHDOBNPMJY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.61
Rot. Bonds4

About [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol

[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol (PubChem CID 61255837) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
PubChem CID61255837
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
SMILESCN(Cc1ccncc1)c1ccnc(CO)c1
InChIInChI=1S/C13H15N3O/c1-16(9-11-2-5-14-6-3-11)13-4-7-15-12(8-13)10-17/h2-8,17H,9-10H2,1H3
InChIKeyVCHBYHDOBNPMJY-UHFFFAOYSA-N
XLogP1.61
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol (CID 61255837) is [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol is CN(Cc1ccncc1)c1ccnc(CO)c1.
What is the InChIKey of [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
The InChIKey is VCHBYHDOBNPMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(9-11-2-5-14-6-3-11)13-4-7-15-12(8-13)10-17/h2-8,17H,9-10H2,1H3.
What are the key properties of [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 61255837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).