3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile

C11H14N4O — CID 103469214

IUPAC3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCC2(O)CCC2)ccc1N
InChIInChI=1S/C11H14N4O/c12-6-9-8(13)2-3-10(15-9)14-7-11(16)4-1-5-11/h2-3,16H,1,4-5,7,13H2,(H,14,15)
InChIKeyBENIDOSYPSKFEA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.86
Rot. Bonds3

About 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile

3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile (PubChem CID 103469214) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
PubChem CID103469214
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCC2(O)CCC2)ccc1N
InChIInChI=1S/C11H14N4O/c12-6-9-8(13)2-3-10(15-9)14-7-11(16)4-1-5-11/h2-3,16H,1,4-5,7,13H2,(H,14,15)
InChIKeyBENIDOSYPSKFEA-UHFFFAOYSA-N
XLogP0.86
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65102710
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65123093
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile (CID 103469214) is 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile is N#Cc1nc(NCC2(O)CCC2)ccc1N.
What is the InChIKey of 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is BENIDOSYPSKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-6-9-8(13)2-3-10(15-9)14-7-11(16)4-1-5-11/h2-3,16H,1,4-5,7,13H2,(H,14,15).
What are the key properties of 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103469214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).