ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate

C13H18N2O3 — CID 139270358

IUPACethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-5-18-11(16)9-6-7-14-8-10(9)15-12(17)13(2,3)4/h6-8H,5H2,1-4H3,(H,15,17)
InChIKeyKFQIYTIQIKFODE-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.24
Rot. Bonds3

About ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate

ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate (PubChem CID 139270358) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
PubChem CID139270358
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1NC(=O)C(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-5-18-11(16)9-6-7-14-8-10(9)15-12(17)13(2,3)4/h6-8H,5H2,1-4H3,(H,15,17)
InChIKeyKFQIYTIQIKFODE-UHFFFAOYSA-N
XLogP2.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-acetamidopyridine-4-carbonyl)amino]pyridine-4-carboxylate
CID 71119003
ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate
CID 156760612
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
ethyl 2-[[2,2-dimethyl-3-oxo-3-(pyridin-3-ylmethylamino)propanoyl]amino]benzoate
CID 108963634
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
CID 6932609
methyl 2-[4-(2,2-dimethylpropanoylamino)-3-pyridinyl]-2-oxoacetate
CID 176957322
ethyl 4-(2,2-dimethylpropanoylamino)-3-methylbenzoate
CID 99771150
ethyl 4-[3-[(2,2,2-trifluoroacetyl)amino]-4-pyridinyl]benzoate
CID 162537564
[4-(2,2-dimethylpropanoylamino)-3-pyridinyl] 2-oxobutanoate
CID 90842056
ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate
CID 121302791
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate (CID 139270358) is ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate is CCOC(=O)c1ccncc1NC(=O)C(C)(C)C.
What is the InChIKey of ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate?
The InChIKey is KFQIYTIQIKFODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-5-18-11(16)9-6-7-14-8-10(9)15-12(17)13(2,3)4/h6-8H,5H2,1-4H3,(H,15,17).
What are the key properties of ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate?
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate is sourced from PubChem (CID 139270358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).