ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate

C14H22N2O2 — CID 133469869

IUPACethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-6-18-13(17)11-8-7-9-15-12(11)16(5)10-14(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyFDEBKEVIAJGUQS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.74
Rot. Bonds4

About ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate

ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate (PubChem CID 133469869) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
PubChem CID133469869
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-6-18-13(17)11-8-7-9-15-12(11)16(5)10-14(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyFDEBKEVIAJGUQS-UHFFFAOYSA-N
XLogP2.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 114047135
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 62819083
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
2-[(3-ethoxycarbonyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262210
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate (CID 133469869) is ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)CC(C)(C)C.
What is the InChIKey of ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
The InChIKey is FDEBKEVIAJGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-18-13(17)11-8-7-9-15-12(11)16(5)10-14(2,3)4/h7-9H,6,10H2,1-5H3.
What are the key properties of ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate?
ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 133469869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).