2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide

C17H27N3O8 — CID 22458029

IUPAC2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)N(C)C(O)CC(O)CO)nc1)C(O)CC(O)CO
InChIInChI=1S/C17H27N3O8/c1-19(14(25)5-11(23)8-21)16(27)10-3-4-13(18-7-10)17(28)20(2)15(26)6-12(24)9-22/h3-4,7,11-12,14-15,21-26H,5-6,8-9H2,1-2H3
InChIKeyMABCEUKTHDZBIE-UHFFFAOYSA-N
MW401.42 g/mol
LogP-2.65
Rot. Bonds10

About 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide

2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide (PubChem CID 22458029) has the molecular formula C17H27N3O8 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide
PubChem CID22458029
Molecular FormulaC17H27N3O8
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC Name2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)N(C)C(O)CC(O)CO)nc1)C(O)CC(O)CO
InChIInChI=1S/C17H27N3O8/c1-19(14(25)5-11(23)8-21)16(27)10-3-4-13(18-7-10)17(28)20(2)15(26)6-12(24)9-22/h3-4,7,11-12,14-15,21-26H,5-6,8-9H2,1-2H3
InChIKeyMABCEUKTHDZBIE-UHFFFAOYSA-N
XLogP-2.65
TPSA174.89 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 5-2.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide
CID 22457972
6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43430158
6-[1-cyanopropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 55175516
6-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 112663249
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 55230597
5-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63749552
5-[methyl-[1-(1-methylcyclopropyl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 119152141
N,5-dimethyl-N-[4-(methylamino)butan-2-yl]pyridine-2-carboxamide
CID 143233459
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide (CID 22458029) is 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide is CN(C(=O)c1ccc(C(=O)N(C)C(O)CC(O)CO)nc1)C(O)CC(O)CO.
What is the InChIKey of 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide?
The InChIKey is MABCEUKTHDZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O8/c1-19(14(25)5-11(23)8-21)16(27)10-3-4-13(18-7-10)17(28)20(2)15(26)6-12(24)9-22/h3-4,7,11-12,14-15,21-26H,5-6,8-9H2,1-2H3.
What are the key properties of 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide?
2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide has a molecular weight of 401.42 g/mol, XLogP of -2.65, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-dimethyl-2-N,5-N-bis(1,3,4-trihydroxybutyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 22458029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).