2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide

C13H20N4O2 — CID 106347161

IUPAC2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C(N)=O)C(C)C)cc(N)n1
InChIInChI=1S/C13H20N4O2/c1-4-9-5-8(6-10(14)16-9)13(19)17-11(7(2)3)12(15)18/h5-7,11H,4H2,1-3H3,(H2,14,16)(H2,15,18)(H,17,19)
InChIKeyVSSFXARHHMXPCZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.47
Rot. Bonds5

About 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide

2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide (PubChem CID 106347161) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide
PubChem CID106347161
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)NC(C(N)=O)C(C)C)cc(N)n1
InChIInChI=1S/C13H20N4O2/c1-4-9-5-8(6-10(14)16-9)13(19)17-11(7(2)3)12(15)18/h5-7,11H,4H2,1-3H3,(H2,14,16)(H2,15,18)(H,17,19)
InChIKeyVSSFXARHHMXPCZ-UHFFFAOYSA-N
XLogP0.47
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-4-cyanobenzamide
CID 10221335
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-3,6-dimethyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 10387708
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-6-methyl-2,8-dioxo-3-propyl-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042267
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-benzyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042269
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-cyclopropylmethyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266844
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-cyclobutylmethyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266860
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266873
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(3,3-diisobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266874
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyridin-1-yl)-acetamide
CID 9865994
(2S)-1-[(2R)-2-amino-3,3-dicyclohexylpropanoyl]-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 10791003
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093
3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylamino)pyridin-2-yl)-(1H)-pyridin-2-one
CID 11611103

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide (CID 106347161) is 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide is CCc1cc(C(=O)NC(C(N)=O)C(C)C)cc(N)n1.
What is the InChIKey of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide?
The InChIKey is VSSFXARHHMXPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-9-5-8(6-10(14)16-9)13(19)17-11(7(2)3)12(15)18/h5-7,11H,4H2,1-3H3,(H2,14,16)(H2,15,18)(H,17,19).
What are the key properties of 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide?
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide is sourced from PubChem (CID 106347161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).