6-(4-tert-butylanilino)pyridine-2-carbonitrile

C16H17N3 — CID 64588460

IUPAC6-(4-tert-butylanilino)pyridine-2-carbonitrile
SMILESCC(C)(C)c1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C16H17N3/c1-16(2,3)12-7-9-13(10-8-12)18-15-6-4-5-14(11-17)19-15/h4-10H,1-3H3,(H,18,19)
InChIKeyNYXUHXKSXCYUJP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.99
Rot. Bonds2

About 6-(4-tert-butylanilino)pyridine-2-carbonitrile

6-(4-tert-butylanilino)pyridine-2-carbonitrile (PubChem CID 64588460) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-tert-butylanilino)pyridine-2-carbonitrile
PubChem CID64588460
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name6-(4-tert-butylanilino)pyridine-2-carbonitrile
SMILESCC(C)(C)c1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C16H17N3/c1-16(2,3)12-7-9-13(10-8-12)18-15-6-4-5-14(11-17)19-15/h4-10H,1-3H3,(H,18,19)
InChIKeyNYXUHXKSXCYUJP-UHFFFAOYSA-N
XLogP3.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-tert-butylanilino)pyridine-2-carbonitrile (CID 64588460) is 6-(4-tert-butylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-tert-butylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-tert-butylanilino)pyridine-2-carbonitrile is CC(C)(C)c1ccc(Nc2cccc(C#N)n2)cc1.
What is the InChIKey of 6-(4-tert-butylanilino)pyridine-2-carbonitrile?
The InChIKey is NYXUHXKSXCYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(2,3)12-7-9-13(10-8-12)18-15-6-4-5-14(11-17)19-15/h4-10H,1-3H3,(H,18,19).
What are the key properties of 6-(4-tert-butylanilino)pyridine-2-carbonitrile?
6-(4-tert-butylanilino)pyridine-2-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 64588460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).