5-(tert-butylamino)pyridine-3-carbonitrile

C10H13N3 — CID 70316843

IUPAC5-(tert-butylamino)pyridine-3-carbonitrile
SMILESCC(C)(C)Nc1cncc(C#N)c1
InChIInChI=1S/C10H13N3/c1-10(2,3)13-9-4-8(5-11)6-12-7-9/h4,6-7,13H,1-3H3
InChIKeyUHXMPWIZDBOXMR-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.16
Rot. Bonds1

About 5-(tert-butylamino)pyridine-3-carbonitrile

5-(tert-butylamino)pyridine-3-carbonitrile (PubChem CID 70316843) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-(tert-butylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(tert-butylamino)pyridine-3-carbonitrile
PubChem CID70316843
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-(tert-butylamino)pyridine-3-carbonitrile
SMILESCC(C)(C)Nc1cncc(C#N)c1
InChIInChI=1S/C10H13N3/c1-10(2,3)13-9-4-8(5-11)6-12-7-9/h4,6-7,13H,1-3H3
InChIKeyUHXMPWIZDBOXMR-UHFFFAOYSA-N
XLogP2.16
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-(tert-butylamino)pyridine-3-carbonitrile (CID 70316843) is 5-(tert-butylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(tert-butylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(tert-butylamino)pyridine-3-carbonitrile is CC(C)(C)Nc1cncc(C#N)c1.
What is the InChIKey of 5-(tert-butylamino)pyridine-3-carbonitrile?
The InChIKey is UHXMPWIZDBOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-10(2,3)13-9-4-8(5-11)6-12-7-9/h4,6-7,13H,1-3H3.
What are the key properties of 5-(tert-butylamino)pyridine-3-carbonitrile?
5-(tert-butylamino)pyridine-3-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 70316843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).