5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid

C12H18N2O4 — CID 113321599

IUPAC5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
SMILESCOCCN(CCOC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N2O4/c1-17-7-5-14(6-8-18-2)10-3-4-11(12(15)16)13-9-10/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeyRHXUSSNCSZZIRG-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.88
Rot. Bonds8

About 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid

5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid (PubChem CID 113321599) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
PubChem CID113321599
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
SMILESCOCCN(CCOC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H18N2O4/c1-17-7-5-14(6-8-18-2)10-3-4-11(12(15)16)13-9-10/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeyRHXUSSNCSZZIRG-UHFFFAOYSA-N
XLogP0.88
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
CID 115490822
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
3-amino-N-[5-[bis(2-methoxyethyl)amino]-2-pyridinyl]propanamide
CID 82034874
5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
CID 115490751
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
CID 103339943
5-N-(2-methoxyethyl)-5-N-propylpyridine-2,5-diamine
CID 156651791
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638828
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid (CID 113321599) is 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid is COCCN(CCOC)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is RHXUSSNCSZZIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-7-5-14(6-8-18-2)10-3-4-11(12(15)16)13-9-10/h3-4,9H,5-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid?
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113321599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).