2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide

C13H19N3O6 — CID 22457897

IUPAC2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide
SMILESO=C(NC(O)CCO)c1cccc(C(=O)NC(O)CCO)n1
InChIInChI=1S/C13H19N3O6/c17-6-4-10(19)15-12(21)8-2-1-3-9(14-8)13(22)16-11(20)5-7-18/h1-3,10-11,17-20H,4-7H2,(H,15,21)(H,16,22)
InChIKeyUBFVJVBOSJPCQR-UHFFFAOYSA-N
MW313.31 g/mol
LogP-2.06
Rot. Bonds8

About 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide (PubChem CID 22457897) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide
PubChem CID22457897
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide
SMILESO=C(NC(O)CCO)c1cccc(C(=O)NC(O)CCO)n1
InChIInChI=1S/C13H19N3O6/c17-6-4-10(19)15-12(21)8-2-1-3-9(14-8)13(22)16-11(20)5-7-18/h1-3,10-11,17-20H,4-7H2,(H,15,21)(H,16,22)
InChIKeyUBFVJVBOSJPCQR-UHFFFAOYSA-N
XLogP-2.06
TPSA152.01 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 5-2.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 115496379
2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
CID 171379474
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
2-N,6-N-bis(3,4-diaminobutyl)pyridine-2,6-dicarboxamide
CID 102285423
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide
CID 71614579
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide
CID 132942332
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide (CID 22457897) is 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide is O=C(NC(O)CCO)c1cccc(C(=O)NC(O)CCO)n1.
What is the InChIKey of 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide?
The InChIKey is UBFVJVBOSJPCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c17-6-4-10(19)15-12(21)8-2-1-3-9(14-8)13(22)16-11(20)5-7-18/h1-3,10-11,17-20H,4-7H2,(H,15,21)(H,16,22).
What are the key properties of 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide has a molecular weight of 313.31 g/mol, XLogP of -2.06, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(1,3-dihydroxypropyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 22457897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).