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

C13H20N4O2 — CID 106098402

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)(C)CC(N)=O)ccn1
InChIInChI=1S/C13H20N4O2/c1-4-15-11-7-9(5-6-16-11)12(19)17-13(2,3)8-10(14)18/h5-7H,4,8H2,1-3H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyMFXSIOPOASZSRE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.90
Rot. Bonds6

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

N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 106098402) 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)-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
PubChem CID106098402
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)(C)CC(N)=O)ccn1
InChIInChI=1S/C13H20N4O2/c1-4-15-11-7-9(5-6-16-11)12(19)17-13(2,3)8-10(14)18/h5-7H,4,8H2,1-3H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyMFXSIOPOASZSRE-UHFFFAOYSA-N
XLogP0.90
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106098142
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 106098439
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55047201
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62177284
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382
2-(ethylamino)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 62166650
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
CID 106095377
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
CID 83115069
2-(ethylamino)-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 62165184

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide (CID 106098402) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NC(C)(C)CC(N)=O)ccn1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is MFXSIOPOASZSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-15-11-7-9(5-6-16-11)12(19)17-13(2,3)8-10(14)18/h5-7H,4,8H2,1-3H3,(H2,14,18)(H,15,16)(H,17,19).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 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)-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106098402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).