6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile

C13H19N3O — CID 113234230

IUPAC6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
SMILESCCC(CC)C(O)CNc1ccc(C#N)cn1
InChIInChI=1S/C13H19N3O/c1-3-11(4-2)12(17)9-16-13-6-5-10(7-14)8-15-13/h5-6,8,11-12,17H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyNWCMHFZYTXDYCN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds6

About 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile

6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile (PubChem CID 113234230) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
PubChem CID113234230
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
SMILESCCC(CC)C(O)CNc1ccc(C#N)cn1
InChIInChI=1S/C13H19N3O/c1-3-11(4-2)12(17)9-16-13-6-5-10(7-14)8-15-13/h5-6,8,11-12,17H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyNWCMHFZYTXDYCN-UHFFFAOYSA-N
XLogP2.16
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile (CID 113234230) is 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile is CCC(CC)C(O)CNc1ccc(C#N)cn1.
What is the InChIKey of 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile?
The InChIKey is NWCMHFZYTXDYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-11(4-2)12(17)9-16-13-6-5-10(7-14)8-15-13/h5-6,8,11-12,17H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile?
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 113234230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).