nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate

C20H32N2O4 — CID 139614948

IUPACnonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
SMILESCCCCC(CCCC)OC(=O)CNC(=O)c1ccc(COCC)nc1
InChIInChI=1S/C20H32N2O4/c1-4-7-9-18(10-8-5-2)26-19(23)14-22-20(24)16-11-12-17(21-13-16)15-25-6-3/h11-13,18H,4-10,14-15H2,1-3H3,(H,22,24)
InChIKeyMJQQNDAINYUWQN-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.64
Rot. Bonds13

About nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate

nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate (PubChem CID 139614948) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namenonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
PubChem CID139614948
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Namenonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
SMILESCCCCC(CCCC)OC(=O)CNC(=O)c1ccc(COCC)nc1
InChIInChI=1S/C20H32N2O4/c1-4-7-9-18(10-8-5-2)26-19(23)14-22-20(24)16-11-12-17(21-13-16)15-25-6-3/h11-13,18H,4-10,14-15H2,1-3H3,(H,22,24)
InChIKeyMJQQNDAINYUWQN-UHFFFAOYSA-N
XLogP3.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
[(2S)-butan-2-yl] 2-[[6-(acetyloxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614903
2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid
CID 102131268
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
heptan-4-yl 2-[[2-(acetyloxymethyl)pyridine-4-carbonyl]amino]acetate
CID 139614934
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655
6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
CID 107816753
6-(ethoxymethyl)-N-(2-phenylmethoxyethylsulfonyl)pyridine-3-carboxamide
CID 67867100
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
[(1S)-1-cyanoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885658
hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 146481386

Frequently Asked Questions

What is the IUPAC name of nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
The IUPAC name of nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate (CID 139614948) is nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
The canonical SMILES for nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate is CCCCC(CCCC)OC(=O)CNC(=O)c1ccc(COCC)nc1.
What is the InChIKey of nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
The InChIKey is MJQQNDAINYUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-4-7-9-18(10-8-5-2)26-19(23)14-22-20(24)16-11-12-17(21-13-16)15-25-6-3/h11-13,18H,4-10,14-15H2,1-3H3,(H,22,24).
What are the key properties of nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate?
nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate has a molecular weight of 364.49 g/mol, XLogP of 3.64, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 139614948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).