N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide

C14H20N4O — CID 78911718

IUPACN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
SMILESCc1cc(C)c(C#N)c(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C14H20N4O/c1-9-6-10(2)17-13(11(9)7-15)16-8-12(19)18-14(3,4)5/h6H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeySRGUTSGONMPAGH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.90
Rot. Bonds3

About N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide

N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide (PubChem CID 78911718) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
PubChem CID78911718
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
SMILESCc1cc(C)c(C#N)c(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C14H20N4O/c1-9-6-10(2)17-13(11(9)7-15)16-8-12(19)18-14(3,4)5/h6H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeySRGUTSGONMPAGH-UHFFFAOYSA-N
XLogP1.90
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide (CID 78911718) is N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide is Cc1cc(C)c(C#N)c(NCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide?
The InChIKey is SRGUTSGONMPAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-6-10(2)17-13(11(9)7-15)16-8-12(19)18-14(3,4)5/h6H,8H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide?
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 78911718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).