1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol

C12H15N3O — CID 10656401

IUPAC1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1N(C)c1ccncc1
InChIInChI=1S/C12H15N3O/c1-10(16)12-4-3-9-15(12)14(2)11-5-7-13-8-6-11/h3-10,16H,1-2H3
InChIKeyCWNCRDCRPVSPHI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds3

About 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol

1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol (PubChem CID 10656401) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol
PubChem CID10656401
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1N(C)c1ccncc1
InChIInChI=1S/C12H15N3O/c1-10(16)12-4-3-9-15(12)14(2)11-5-7-13-8-6-11/h3-10,16H,1-2H3
InChIKeyCWNCRDCRPVSPHI-UHFFFAOYSA-N
XLogP1.84
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol (CID 10656401) is 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol is CC(O)c1cccn1N(C)c1ccncc1.
What is the InChIKey of 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol?
The InChIKey is CWNCRDCRPVSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10(16)12-4-3-9-15(12)14(2)11-5-7-13-8-6-11/h3-10,16H,1-2H3.
What are the key properties of 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol?
1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[methyl(pyridin-4-yl)amino]pyrrol-2-yl]ethanol is sourced from PubChem (CID 10656401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).