4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile

C10H13N3O — CID 62926432

IUPAC4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
SMILESCCN(CCO)c1ccnc(C#N)c1
InChIInChI=1S/C10H13N3O/c1-2-13(5-6-14)10-3-4-12-9(7-10)8-11/h3-4,7,14H,2,5-6H2,1H3
InChIKeyANJLFLSHAHAMPW-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.77
Rot. Bonds4

About 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile

4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile (PubChem CID 62926432) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
PubChem CID62926432
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
SMILESCCN(CCO)c1ccnc(C#N)c1
InChIInChI=1S/C10H13N3O/c1-2-13(5-6-14)10-3-4-12-9(7-10)8-11/h3-4,7,14H,2,5-6H2,1H3
InChIKeyANJLFLSHAHAMPW-UHFFFAOYSA-N
XLogP0.77
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile (CID 62926432) is 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile is CCN(CCO)c1ccnc(C#N)c1.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
The InChIKey is ANJLFLSHAHAMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-13(5-6-14)10-3-4-12-9(7-10)8-11/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile?
4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62926432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).