6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile

C12H13N3O — CID 75424169

IUPAC6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2C=C[C@H](CO)C2)nc1
InChIInChI=1S/C12H13N3O/c13-6-10-2-4-12(14-7-10)15-11-3-1-9(5-11)8-16/h1-4,7,9,11,16H,5,8H2,(H,14,15)/t9-,11+/m0/s1
InChIKeyUJYXYSDOCPTMQQ-GXSJLCMTSA-N
MW215.26 g/mol
LogP1.30
Rot. Bonds3

About 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile

6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile (PubChem CID 75424169) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile
PubChem CID75424169
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2C=C[C@H](CO)C2)nc1
InChIInChI=1S/C12H13N3O/c13-6-10-2-4-12(14-7-10)15-11-3-1-9(5-11)8-16/h1-4,7,9,11,16H,5,8H2,(H,14,15)/t9-,11+/m0/s1
InChIKeyUJYXYSDOCPTMQQ-GXSJLCMTSA-N
XLogP1.30
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile (CID 75424169) is 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(N[C@@H]2C=C[C@H](CO)C2)nc1.
What is the InChIKey of 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile?
The InChIKey is UJYXYSDOCPTMQQ-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H13N3O/c13-6-10-2-4-12(14-7-10)15-11-3-1-9(5-11)8-16/h1-4,7,9,11,16H,5,8H2,(H,14,15)/t9-,11+/m0/s1.
What are the key properties of 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile?
6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 75424169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).