2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile

C10H13N3 — CID 131970438

IUPAC2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile
SMILESN#CC1=CNC(NC2CCC2)C=C1
InChIInChI=1S/C10H13N3/c11-6-8-4-5-10(12-7-8)13-9-2-1-3-9/h4-5,7,9-10,12-13H,1-3H2
InChIKeyHLVOIYVMLZCRAL-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.02
Rot. Bonds2

About 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile

2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile (PubChem CID 131970438) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile
PubChem CID131970438
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile
SMILESN#CC1=CNC(NC2CCC2)C=C1
InChIInChI=1S/C10H13N3/c11-6-8-4-5-10(12-7-8)13-9-2-1-3-9/h4-5,7,9-10,12-13H,1-3H2
InChIKeyHLVOIYVMLZCRAL-UHFFFAOYSA-N
XLogP1.02
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile?
The IUPAC name of 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile (CID 131970438) is 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile is N#CC1=CNC(NC2CCC2)C=C1.
What is the InChIKey of 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile?
The InChIKey is HLVOIYVMLZCRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-6-8-4-5-10(12-7-8)13-9-2-1-3-9/h4-5,7,9-10,12-13H,1-3H2.
What are the key properties of 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile?
2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile has a molecular weight of 175.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-1,2-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 131970438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).