3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile

C10H14N4O2 — CID 103468525

IUPAC3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
SMILESCOCC(O)CNc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H14N4O2/c1-16-6-7(15)5-13-10-3-2-8(12)9(4-11)14-10/h2-3,7,15H,5-6,12H2,1H3,(H,13,14)
InChIKeyKGXVVBZDUQGSCN-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.05
Rot. Bonds5

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

3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile (PubChem CID 103468525) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
PubChem CID103468525
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
SMILESCOCC(O)CNc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H14N4O2/c1-16-6-7(15)5-13-10-3-2-8(12)9(4-11)14-10/h2-3,7,15H,5-6,12H2,1H3,(H,13,14)
InChIKeyKGXVVBZDUQGSCN-UHFFFAOYSA-N
XLogP-0.05
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
2-[(5-amino-6-cyano-2-pyridinyl)amino]-2-methylpropanamide
CID 103468133
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile (CID 103468525) is 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile is COCC(O)CNc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile?
The InChIKey is KGXVVBZDUQGSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-6-7(15)5-13-10-3-2-8(12)9(4-11)14-10/h2-3,7,15H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile?
3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).