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

C11H13N3O — CID 63296137

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC(O)C2CC2)c1
InChIInChI=1S/C11H13N3O/c12-6-8-3-4-13-11(5-8)14-7-10(15)9-1-2-9/h3-5,9-10,15H,1-2,7H2,(H,13,14)
InChIKeyWWZKRLHBILWPEH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.14
Rot. Bonds4

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

2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile (PubChem CID 63296137) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile
PubChem CID63296137
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC(O)C2CC2)c1
InChIInChI=1S/C11H13N3O/c12-6-8-3-4-13-11(5-8)14-7-10(15)9-1-2-9/h3-5,9-10,15H,1-2,7H2,(H,13,14)
InChIKeyWWZKRLHBILWPEH-UHFFFAOYSA-N
XLogP1.14
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile (CID 63296137) is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(NCC(O)C2CC2)c1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The InChIKey is WWZKRLHBILWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-6-8-3-4-13-11(5-8)14-7-10(15)9-1-2-9/h3-5,9-10,15H,1-2,7H2,(H,13,14).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile?
2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 63296137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).