6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid

C12H17N3O4 — CID 113405119

IUPAC6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCOCCNC(=O)CNCc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H17N3O4/c1-19-5-4-14-11(16)8-13-7-10-3-2-9(6-15-10)12(17)18/h2-3,6,13H,4-5,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyMOYVVLUFVYEBFP-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.37
Rot. Bonds8

About 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid

6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid (PubChem CID 113405119) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
PubChem CID113405119
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCOCCNC(=O)CNCc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H17N3O4/c1-19-5-4-14-11(16)8-13-7-10-3-2-9(6-15-10)12(17)18/h2-3,6,13H,4-5,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyMOYVVLUFVYEBFP-UHFFFAOYSA-N
XLogP-0.37
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60647529
6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
CID 114127595
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255770
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 106133497
6-[[(4-methoxy-3-methylphenyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 166258581
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid (CID 113405119) is 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid is COCCNC(=O)CNCc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is MOYVVLUFVYEBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-5-4-14-11(16)8-13-7-10-3-2-9(6-15-10)12(17)18/h2-3,6,13H,4-5,7-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid?
6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 113405119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).