[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate

C12H17N3O3 — CID 81316734

IUPAC[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
SMILESCCC(C)NC(=O)COC(=O)c1ccc(N)cn1
InChIInChI=1S/C12H17N3O3/c1-3-8(2)15-11(16)7-18-12(17)10-5-4-9(13)6-14-10/h4-6,8H,3,7,13H2,1-2H3,(H,15,16)
InChIKeyMKQOGMNTZQWLKQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds5

About [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate

[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate (PubChem CID 81316734) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
PubChem CID81316734
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
SMILESCCC(C)NC(=O)COC(=O)c1ccc(N)cn1
InChIInChI=1S/C12H17N3O3/c1-3-8(2)15-11(16)7-18-12(17)10-5-4-9(13)6-14-10/h4-6,8H,3,7,13H2,1-2H3,(H,15,16)
InChIKeyMKQOGMNTZQWLKQ-UHFFFAOYSA-N
XLogP0.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2693222
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81317384
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
[2-(butan-2-ylamino)-2-oxoethyl] 3,5-diaminobenzoate
CID 61320645
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81312802
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
CID 61320756
[2-(butan-2-ylamino)-2-oxoethyl] 5-amino-1-benzofuran-2-carboxylate
CID 61320981
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
butyl 5-aminopyridine-2-carboxylate
CID 81315833
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate (CID 81316734) is [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate.
What is the SMILES notation for [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The canonical SMILES for [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate is CCC(C)NC(=O)COC(=O)c1ccc(N)cn1.
What is the InChIKey of [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The InChIKey is MKQOGMNTZQWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-8(2)15-11(16)7-18-12(17)10-5-4-9(13)6-14-10/h4-6,8H,3,7,13H2,1-2H3,(H,15,16).
What are the key properties of [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81316734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).