2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile

C11H13N3O4 — CID 10444838

IUPAC2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N3O4/c12-4-6-2-1-3-13-10(6)14-11-9(17)8(16)7(5-15)18-11/h1-3,7-9,11,15-17H,5H2,(H,13,14)/t7-,8-,9-,11-/m1/s1
InChIKeyZTSNYFQRRACLGQ-TURQNECASA-N
MW251.24 g/mol
LogP-1.20
Rot. Bonds3

About 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile

2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 10444838) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID10444838
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13N3O4/c12-4-6-2-1-3-13-10(6)14-11-9(17)8(16)7(5-15)18-11/h1-3,7-9,11,15-17H,5H2,(H,13,14)/t7-,8-,9-,11-/m1/s1
InChIKeyZTSNYFQRRACLGQ-TURQNECASA-N
XLogP-1.20
TPSA118.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile (CID 10444838) is 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is ZTSNYFQRRACLGQ-TURQNECASA-N. The full InChI is InChI=1S/C11H13N3O4/c12-4-6-2-1-3-13-10(6)14-11-9(17)8(16)7(5-15)18-11/h1-3,7-9,11,15-17H,5H2,(H,13,14)/t7-,8-,9-,11-/m1/s1.
What are the key properties of 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile?
2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 251.24 g/mol, XLogP of -1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 10444838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).