3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide

C12H20N4O — CID 106275327

IUPAC3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(C)c(N)cn1
InChIInChI=1S/C12H20N4O/c1-8-5-10(15-6-9(8)13)16-7-12(2,3)11(17)14-4/h5-6H,7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyIFYWAVQANQLNQV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.16
Rot. Bonds4

About 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide

3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106275327) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
PubChem CID106275327
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(C)c(N)cn1
InChIInChI=1S/C12H20N4O/c1-8-5-10(15-6-9(8)13)16-7-12(2,3)11(17)14-4/h5-6H,7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyIFYWAVQANQLNQV-UHFFFAOYSA-N
XLogP1.16
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide (CID 106275327) is 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1cc(C)c(N)cn1.
What is the InChIKey of 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is IFYWAVQANQLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-10(15-6-9(8)13)16-7-12(2,3)11(17)14-4/h5-6H,7,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide?
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).