tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate

C14H19N3O4 — CID 90044554

IUPACtert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Nc1ncccc1C(N)=O
InChIInChI=1S/C14H19N3O4/c1-14(2,3)21-11(19)7-6-10(18)17-13-9(12(15)20)5-4-8-16-13/h4-5,8H,6-7H2,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyXYHVFNJSJLLHSE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.24
Rot. Bonds5

About tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate

tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate (PubChem CID 90044554) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
PubChem CID90044554
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nametert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Nc1ncccc1C(N)=O
InChIInChI=1S/C14H19N3O4/c1-14(2,3)21-11(19)7-6-10(18)17-13-9(12(15)20)5-4-8-16-13/h4-5,8H,6-7H2,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyXYHVFNJSJLLHSE-UHFFFAOYSA-N
XLogP1.24
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(3-carbamoyl-5-fluoro-2-pyridinyl)amino]-4-oxobutanoate
CID 118299440
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
CID 70203259
2-(methylcarbamoylamino)pyridine-3-carboxamide
CID 88995807
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645
tert-butyl 4-(2,6-difluoroanilino)-4-oxobutanoate
CID 106707000
tert-butyl 2-[(3-propanimidoyl-2-pyridinyl)amino]acetate
CID 123752297
2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide
CID 134870273
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
tert-butyl 3-[3-(propanoylamino)-2-pyridinyl]propanoate
CID 46941453
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate (CID 90044554) is tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)Nc1ncccc1C(N)=O.
What is the InChIKey of tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate?
The InChIKey is XYHVFNJSJLLHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,3)21-11(19)7-6-10(18)17-13-9(12(15)20)5-4-8-16-13/h4-5,8H,6-7H2,1-3H3,(H2,15,20)(H,16,17,18).
What are the key properties of tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate?
tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate has a molecular weight of 293.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate is sourced from PubChem (CID 90044554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).