2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide

C15H23N3O6 — CID 22457972

IUPAC2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)N(C)C(O)CCO)nc1)C(O)CCO
InChIInChI=1S/C15H23N3O6/c1-17(12(21)5-7-19)14(23)10-3-4-11(16-9-10)15(24)18(2)13(22)6-8-20/h3-4,9,12-13,19-22H,5-8H2,1-2H3
InChIKeyAHQOSTJCAXQLGX-UHFFFAOYSA-N
MW341.36 g/mol
LogP-1.37
Rot. Bonds8

About 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide

2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide (PubChem CID 22457972) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide
PubChem CID22457972
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)N(C)C(O)CCO)nc1)C(O)CCO
InChIInChI=1S/C15H23N3O6/c1-17(12(21)5-7-19)14(23)10-3-4-11(16-9-10)15(24)18(2)13(22)6-8-20/h3-4,9,12-13,19-22H,5-8H2,1-2H3
InChIKeyAHQOSTJCAXQLGX-UHFFFAOYSA-N
XLogP-1.37
TPSA134.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide (CID 22457972) is 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide is CN(C(=O)c1ccc(C(=O)N(C)C(O)CCO)nc1)C(O)CCO.
What is the InChIKey of 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide?
The InChIKey is AHQOSTJCAXQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-17(12(21)5-7-19)14(23)10-3-4-11(16-9-10)15(24)18(2)13(22)6-8-20/h3-4,9,12-13,19-22H,5-8H2,1-2H3.
What are the key properties of 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide?
2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide has a molecular weight of 341.36 g/mol, XLogP of -1.37, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 22457972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).