3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide

C17H27N3O6 — CID 22457870

IUPAC3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
SMILESCN(C(=O)c1cncc(C(=O)N(C)C(C)(CO)CO)c1)C(C)(CO)CO
InChIInChI=1S/C17H27N3O6/c1-16(8-21,9-22)19(3)14(25)12-5-13(7-18-6-12)15(26)20(4)17(2,10-23)11-24/h5-7,21-24H,8-11H2,1-4H3
InChIKeyYPNMYGURGPIDIM-UHFFFAOYSA-N
MW369.42 g/mol
LogP-1.29
Rot. Bonds8

About 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide

3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide (PubChem CID 22457870) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
PubChem CID22457870
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Name3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
SMILESCN(C(=O)c1cncc(C(=O)N(C)C(C)(CO)CO)c1)C(C)(CO)CO
InChIInChI=1S/C17H27N3O6/c1-16(8-21,9-22)19(3)14(25)12-5-13(7-18-6-12)15(26)20(4)17(2,10-23)11-24/h5-7,21-24H,8-11H2,1-4H3
InChIKeyYPNMYGURGPIDIM-UHFFFAOYSA-N
XLogP-1.29
TPSA134.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
N-hydroxy-N-methyl-5-propan-2-ylpyridine-3-carboxamide
CID 175633348
5-ethynyl-N,N-dimethylpyridine-3-carboxamide
CID 130118726
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid
CID 55276625
3-N,3-N,5-N,5-N-tetrakis(2-aminoethyl)pyridine-3,5-dicarboxamide
CID 67532507
5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 150640847
5-(tert-butylamino)-N,N-diethylpyridine-3-carboxamide
CID 109238760
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-[(2R)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 130640858
1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone
CID 121458605
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide (CID 22457870) is 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide is CN(C(=O)c1cncc(C(=O)N(C)C(C)(CO)CO)c1)C(C)(CO)CO.
What is the InChIKey of 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is YPNMYGURGPIDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-16(8-21,9-22)19(3)14(25)12-5-13(7-18-6-12)15(26)20(4)17(2,10-23)11-24/h5-7,21-24H,8-11H2,1-4H3.
What are the key properties of 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide has a molecular weight of 369.42 g/mol, XLogP of -1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 22457870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).