3-(2-hydroxypentylamino)pyridine-4-carbonitrile

C11H15N3O — CID 115883782

IUPAC3-(2-hydroxypentylamino)pyridine-4-carbonitrile
SMILESCCCC(O)CNc1cnccc1C#N
InChIInChI=1S/C11H15N3O/c1-2-3-10(15)7-14-11-8-13-5-4-9(11)6-12/h4-5,8,10,14-15H,2-3,7H2,1H3
InChIKeyAPRNQRVVKQTQQJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.53
Rot. Bonds5

About 3-(2-hydroxypentylamino)pyridine-4-carbonitrile

3-(2-hydroxypentylamino)pyridine-4-carbonitrile (PubChem CID 115883782) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2-hydroxypentylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxypentylamino)pyridine-4-carbonitrile
PubChem CID115883782
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(2-hydroxypentylamino)pyridine-4-carbonitrile
SMILESCCCC(O)CNc1cnccc1C#N
InChIInChI=1S/C11H15N3O/c1-2-3-10(15)7-14-11-8-13-5-4-9(11)6-12/h4-5,8,10,14-15H,2-3,7H2,1H3
InChIKeyAPRNQRVVKQTQQJ-UHFFFAOYSA-N
XLogP1.53
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
CID 130963996
4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771
2-bromo-3-fluoro-4-(2-hydroxypentylamino)benzonitrile
CID 107537406
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 136534742
1-[(5-aminoisoquinolin-6-yl)amino]pentan-2-ol
CID 106948429
3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 114287606
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypentylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-hydroxypentylamino)pyridine-4-carbonitrile (CID 115883782) is 3-(2-hydroxypentylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-hydroxypentylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-hydroxypentylamino)pyridine-4-carbonitrile is CCCC(O)CNc1cnccc1C#N.
What is the InChIKey of 3-(2-hydroxypentylamino)pyridine-4-carbonitrile?
The InChIKey is APRNQRVVKQTQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-10(15)7-14-11-8-13-5-4-9(11)6-12/h4-5,8,10,14-15H,2-3,7H2,1H3.
What are the key properties of 3-(2-hydroxypentylamino)pyridine-4-carbonitrile?
3-(2-hydroxypentylamino)pyridine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypentylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 115883782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).