5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile

C12H16N4O2 — CID 103468844

IUPAC5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2(O)CCOCC2)c(N)c1
InChIInChI=1S/C12H16N4O2/c13-6-9-5-10(14)11(15-7-9)16-8-12(17)1-3-18-4-2-12/h5,7,17H,1-4,8,14H2,(H,15,16)
InChIKeyFUDQJXHSIWTYGC-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.49
Rot. Bonds3

About 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile

5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 103468844) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
PubChem CID103468844
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2(O)CCOCC2)c(N)c1
InChIInChI=1S/C12H16N4O2/c13-6-9-5-10(14)11(15-7-9)16-8-12(17)1-3-18-4-2-12/h5,7,17H,1-4,8,14H2,(H,15,16)
InChIKeyFUDQJXHSIWTYGC-UHFFFAOYSA-N
XLogP0.49
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
CID 114169972
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 103468880
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
CID 106747935
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 106167287

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile (CID 103468844) is 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCC2(O)CCOCC2)c(N)c1.
What is the InChIKey of 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is FUDQJXHSIWTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-6-9-5-10(14)11(15-7-9)16-8-12(17)1-3-18-4-2-12/h5,7,17H,1-4,8,14H2,(H,15,16).
What are the key properties of 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile?
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).