N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide

C13H20N4O2 — CID 86804796

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-13(2,8-11(14)18)16-12(19)10-7-9(17(3)4)5-6-15-10/h5-7H,8H2,1-4H3,(H2,14,18)(H,16,19)
InChIKeyYAJNHQQAUHWZSM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.53
Rot. Bonds5

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide (PubChem CID 86804796) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide
PubChem CID86804796
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-13(2,8-11(14)18)16-12(19)10-7-9(17(3)4)5-6-15-10/h5-7H,8H2,1-4H3,(H2,14,18)(H,16,19)
InChIKeyYAJNHQQAUHWZSM-UHFFFAOYSA-N
XLogP0.53
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide (CID 86804796) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide is CN(C)c1ccnc(C(=O)NC(C)(C)CC(N)=O)c1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide?
The InChIKey is YAJNHQQAUHWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,8-11(14)18)16-12(19)10-7-9(17(3)4)5-6-15-10/h5-7H,8H2,1-4H3,(H2,14,18)(H,16,19).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(dimethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 86804796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).