2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide

C17H25N5O6 — CID 13417375

IUPAC2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide
SMILESCC(=O)N(O)CCCNC(=O)c1cccc(C(=O)NCCCN(O)C(C)=O)n1
InChIInChI=1S/C17H25N5O6/c1-12(23)21(27)10-4-8-18-16(25)14-6-3-7-15(20-14)17(26)19-9-5-11-22(28)13(2)24/h3,6-7,27-28H,4-5,8-11H2,1-2H3,(H,18,25)(H,19,26)
InChIKeyYZJPCSPULBYBTB-UHFFFAOYSA-N
MW395.42 g/mol
LogP-0.20
Rot. Bonds10

About 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide (PubChem CID 13417375) has the molecular formula C17H25N5O6 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide
PubChem CID13417375
Molecular FormulaC17H25N5O6
Molecular Weight395.42 g/mol
Exact Mass395.18
IUPAC Name2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide
SMILESCC(=O)N(O)CCCNC(=O)c1cccc(C(=O)NCCCN(O)C(C)=O)n1
InChIInChI=1S/C17H25N5O6/c1-12(23)21(27)10-4-8-18-16(25)14-6-3-7-15(20-14)17(26)19-9-5-11-22(28)13(2)24/h3,6-7,27-28H,4-5,8-11H2,1-2H3,(H,18,25)(H,19,26)
InChIKeyYZJPCSPULBYBTB-UHFFFAOYSA-N
XLogP-0.20
TPSA152.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109096578
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide (CID 13417375) is 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide is CC(=O)N(O)CCCNC(=O)c1cccc(C(=O)NCCCN(O)C(C)=O)n1.
What is the InChIKey of 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide?
The InChIKey is YZJPCSPULBYBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O6/c1-12(23)21(27)10-4-8-18-16(25)14-6-3-7-15(20-14)17(26)19-9-5-11-22(28)13(2)24/h3,6-7,27-28H,4-5,8-11H2,1-2H3,(H,18,25)(H,19,26).
What are the key properties of 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide has a molecular weight of 395.42 g/mol, XLogP of -0.20, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 13417375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).