3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide

C13H19N3O4 — CID 22458041

IUPAC3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
SMILESCN(CCO)C(=O)c1cncc(C(=O)N(C)CCO)c1
InChIInChI=1S/C13H19N3O4/c1-15(3-5-17)12(19)10-7-11(9-14-8-10)13(20)16(2)4-6-18/h7-9,17-18H,3-6H2,1-2H3
InChIKeyIHRYKSWHVCFNJO-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.79
Rot. Bonds6

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

3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide (PubChem CID 22458041) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
PubChem CID22458041
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
SMILESCN(CCO)C(=O)c1cncc(C(=O)N(C)CCO)c1
InChIInChI=1S/C13H19N3O4/c1-15(3-5-17)12(19)10-7-11(9-14-8-10)13(20)16(2)4-6-18/h7-9,17-18H,3-6H2,1-2H3
InChIKeyIHRYKSWHVCFNJO-UHFFFAOYSA-N
XLogP-0.79
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 175903314
N-[3-(dimethylamino)propyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63860357
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
5-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 63866551
3-N,5-N-bis(1,3-dihydroxy-2-methylpropan-2-yl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22457870
N-methyl-5-nitro-N-propylpyridine-3-carboxamide
CID 21405431
methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate
CID 63850703
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112663397
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide (CID 22458041) is 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide is CN(CCO)C(=O)c1cncc(C(=O)N(C)CCO)c1.
What is the InChIKey of 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is IHRYKSWHVCFNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15(3-5-17)12(19)10-7-11(9-14-8-10)13(20)16(2)4-6-18/h7-9,17-18H,3-6H2,1-2H3.
What are the key properties of 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide has a molecular weight of 281.31 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 22458041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).