bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid

C23H25N5O6 — CID 69355730

IUPACbis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid
SMILESCCNC(=O)c1ccncc1.CCNC(=O)c1ccncc1.O=C(O)c1ccnc(C(=O)O)c1
InChIInChI=1S/2C8H10N2O.C7H5NO4/c2*1-2-10-8(11)7-3-5-9-6-4-7;9-6(10)4-1-2-8-5(3-4)7(11)12/h2*3-6H,2H2,1H3,(H,10,11);1-3H,(H,9,10)(H,11,12)
InChIKeyUMJDYMFLHYAKNO-UHFFFAOYSA-N
MW467.48 g/mol
LogP2.14
Rot. Bonds6

About bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid

bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid (PubChem CID 69355730) has the molecular formula C23H25N5O6 and a molecular weight of 467.48 g/mol. Its IUPAC name is bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Namebis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid
PubChem CID69355730
Molecular FormulaC23H25N5O6
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Namebis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid
SMILESCCNC(=O)c1ccncc1.CCNC(=O)c1ccncc1.O=C(O)c1ccnc(C(=O)O)c1
InChIInChI=1S/2C8H10N2O.C7H5NO4/c2*1-2-10-8(11)7-3-5-9-6-4-7;9-6(10)4-1-2-8-5(3-4)7(11)12/h2*3-6H,2H2,1H3,(H,10,11);1-3H,(H,9,10)(H,11,12)
InChIKeyUMJDYMFLHYAKNO-UHFFFAOYSA-N
XLogP2.14
TPSA171.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid?
The IUPAC name of bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid (CID 69355730) is bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid?
The canonical SMILES for bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid is CCNC(=O)c1ccncc1.CCNC(=O)c1ccncc1.O=C(O)c1ccnc(C(=O)O)c1.
What is the InChIKey of bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid?
The InChIKey is UMJDYMFLHYAKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N2O.C7H5NO4/c2*1-2-10-8(11)7-3-5-9-6-4-7;9-6(10)4-1-2-8-5(3-4)7(11)12/h2*3-6H,2H2,1H3,(H,10,11);1-3H,(H,9,10)(H,11,12).
What are the key properties of bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid?
bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid has a molecular weight of 467.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-ethylpyridine-4-carboxamide);pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 69355730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).