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

C11H13N2O3- — CID 6932609

IUPAC4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
SMILESCC(C)(C)C(=O)Nc1ccncc1C(=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)/p-1
InChIKeyUHGXHDOYHCDENE-UHFFFAOYSA-M
MW221.24 g/mol
LogP0.43
Rot. Bonds2

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

4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate (PubChem CID 6932609) has the molecular formula C11H13N2O3- and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
PubChem CID6932609
Molecular FormulaC11H13N2O3-
Molecular Weight221.24 g/mol
Exact Mass221.09
IUPAC Name4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
SMILESCC(C)(C)C(=O)Nc1ccncc1C(=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)/p-1
InChIKeyUHGXHDOYHCDENE-UHFFFAOYSA-M
XLogP0.43
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2,2-dimethylpropanoylamino)-3-pyridinyl]-2-oxoacetate
CID 176957322
2,2-dimethyl-N-[3-(4-methylbenzoyl)-4-pyridinyl]propanamide
CID 146673955
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664
[4-(2,2-dimethylpropanoylamino)-3-pyridinyl] 2-oxobutanoate
CID 90842056
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 135084117
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
4-sulfidopyridine-3-carboxylate
CID 6946725
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate (CID 6932609) is 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate is CC(C)(C)C(=O)Nc1ccncc1C(=O)[O-].
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate?
The InChIKey is UHGXHDOYHCDENE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)/p-1.
What are the key properties of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate?
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate has a molecular weight of 221.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate is sourced from PubChem (CID 6932609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).