ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate

C13H18N2O4 — CID 139614932

IUPACethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
SMILESCCOCc1ccc(C(=O)NCC(=O)OCC)cn1
InChIInChI=1S/C13H18N2O4/c1-3-18-9-11-6-5-10(7-14-11)13(17)15-8-12(16)19-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyNSQNVOPXDMZGME-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.91
Rot. Bonds7

About ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate

ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate (PubChem CID 139614932) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
PubChem CID139614932
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
SMILESCCOCc1ccc(C(=O)NCC(=O)OCC)cn1
InChIInChI=1S/C13H18N2O4/c1-3-18-9-11-6-5-10(7-14-11)13(17)15-8-12(16)19-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyNSQNVOPXDMZGME-UHFFFAOYSA-N
XLogP0.91
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614948
[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614903
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
6-amino-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 114944068

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate (CID 139614932) is ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate is CCOCc1ccc(C(=O)NCC(=O)OCC)cn1.
What is the InChIKey of ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
The InChIKey is NSQNVOPXDMZGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-9-11-6-5-10(7-14-11)13(17)15-8-12(16)19-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate has a molecular weight of 266.30 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 139614932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).