4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide

C16H16N4O — CID 133396427

IUPAC4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2)c(C#N)c(C)n1
InChIInChI=1S/C16H16N4O/c1-10-7-15(14(8-17)11(2)20-10)19-9-12-3-5-13(6-4-12)16(18)21/h3-7H,9H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyNEEQLDYDXDVRMN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.28
Rot. Bonds4

About 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide

4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide (PubChem CID 133396427) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
PubChem CID133396427
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2)c(C#N)c(C)n1
InChIInChI=1S/C16H16N4O/c1-10-7-15(14(8-17)11(2)20-10)19-9-12-3-5-13(6-4-12)16(18)21/h3-7H,9H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyNEEQLDYDXDVRMN-UHFFFAOYSA-N
XLogP2.28
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide (CID 133396427) is 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide is Cc1cc(NCc2ccc(C(N)=O)cc2)c(C#N)c(C)n1.
What is the InChIKey of 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide?
The InChIKey is NEEQLDYDXDVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-7-15(14(8-17)11(2)20-10)19-9-12-3-5-13(6-4-12)16(18)21/h3-7H,9H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide?
4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 133396427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).