4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide

C17H20N6O — CID 70682875

IUPAC4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide
SMILESCC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N
InChIInChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
InChIKeyXDEFNAWAKYQBQY-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.59
Rot. Bonds4

About 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide

4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide (PubChem CID 70682875) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide
PubChem CID70682875
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide
SMILESCC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N
InChIInChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
InChIKeyXDEFNAWAKYQBQY-UHFFFAOYSA-N
XLogP2.59
TPSA129.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide?
The IUPAC name of 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide (CID 70682875) is 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide?
The canonical SMILES for 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide is CC(C)(C)Nc1nc(Nc2ccc(C(N)=O)cc2)cc(N)c1C#N.
What is the InChIKey of 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide?
The InChIKey is XDEFNAWAKYQBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23).
What are the key properties of 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide?
4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide has a molecular weight of 324.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(tert-butylamino)-5-cyano-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 70682875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).