6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile

C10H14N4O — CID 64541282

IUPAC6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
SMILESCC(O)C(N)CNc1ccc(C#N)cn1
InChIInChI=1S/C10H14N4O/c1-7(15)9(12)6-14-10-3-2-8(4-11)5-13-10/h2-3,5,7,9,15H,6,12H2,1H3,(H,13,14)
InChIKeyOTZHPWPVPZLFNN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.07
Rot. Bonds4

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

6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile (PubChem CID 64541282) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
PubChem CID64541282
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
SMILESCC(O)C(N)CNc1ccc(C#N)cn1
InChIInChI=1S/C10H14N4O/c1-7(15)9(12)6-14-10-3-2-8(4-11)5-13-10/h2-3,5,7,9,15H,6,12H2,1H3,(H,13,14)
InChIKeyOTZHPWPVPZLFNN-UHFFFAOYSA-N
XLogP0.07
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]pyridine-3-carbonitrile
CID 95623512
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
CID 55294065
6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile
CID 113222141
6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile
CID 133400309
6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
CID 133289535
ethyl 3-[(5-cyano-2-pyridinyl)amino]-2-phenylpropanoate
CID 133323508
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile (CID 64541282) is 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile is CC(O)C(N)CNc1ccc(C#N)cn1.
What is the InChIKey of 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile?
The InChIKey is OTZHPWPVPZLFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(15)9(12)6-14-10-3-2-8(4-11)5-13-10/h2-3,5,7,9,15H,6,12H2,1H3,(H,13,14).
What are the key properties of 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile?
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 64541282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).