5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride

C71H85Cl3N10O19S — CID 159144520

IUPAC5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride
SMILESCC(=O)c1ccc(C(=O)Cl)nc1.CC(=O)c1ccc(C(=O)NCc2ccc(C(=O)CCCOCCO)cc2)nc1.CC(=O)c1ccc(C(=O)O)nc1.NCC(=O)c1ccc(C(=O)NCc2ccc(C(=O)CCCOCCO)cc2)nc1.NCc1ccc(C(=O)CCCOCCO)cc1.NN.O=S(Cl)Cl
InChIInChI=1S/C21H25N3O5.C21H24N2O5.C13H19NO3.C8H6ClNO2.C8H7NO3.Cl2OS.H4N2/c22-12-20(27)17-7-8-18(23-14-17)21(28)24-13-15-3-5-16(6-4-15)19(26)2-1-10-29-11-9-25;1-15(25)18-8-9-19(22-14-18)21(27)23-13-16-4-6-17(7-5-16)20(26)3-2-11-28-12-10-24;14-10-11-3-5-12(6-4-11)13(16)2-1-8-17-9-7-15;1-5(11)6-2-3-7(8(9)12)10-4-6;1-5(10)6-2-3-7(8(11)12)9-4-6;1-4(2)3;1-2/h3-8,14,25H,1-2,9-13,22H2,(H,24,28);4-9,14,24H,2-3,10-13H2,1H3,(H,23,27);3-6,15H,1-2,7-10,14H2;2-4H,1H3;2-4H,1H3,(H,11,12);;1-2H2
InChIKeyKIMYDCAYNLNZNS-UHFFFAOYSA-N
MW1520.94 g/mol
LogP6.93
Rot. Bonds35

About 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride

5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride (PubChem CID 159144520) has the molecular formula C71H85Cl3N10O19S and a molecular weight of 1520.94 g/mol. Its IUPAC name is 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride.

Molecular Properties

Compound Name5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride
PubChem CID159144520
Molecular FormulaC71H85Cl3N10O19S
Molecular Weight1520.94 g/mol
Exact Mass1518.48
IUPAC Name5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride
SMILESCC(=O)c1ccc(C(=O)Cl)nc1.CC(=O)c1ccc(C(=O)NCc2ccc(C(=O)CCCOCCO)cc2)nc1.CC(=O)c1ccc(C(=O)O)nc1.NCC(=O)c1ccc(C(=O)NCc2ccc(C(=O)CCCOCCO)cc2)nc1.NCc1ccc(C(=O)CCCOCCO)cc1.NN.O=S(Cl)Cl
InChIInChI=1S/C21H25N3O5.C21H24N2O5.C13H19NO3.C8H6ClNO2.C8H7NO3.Cl2OS.H4N2/c22-12-20(27)17-7-8-18(23-14-17)21(28)24-13-15-3-5-16(6-4-15)19(26)2-1-10-29-11-9-25;1-15(25)18-8-9-19(22-14-18)21(27)23-13-16-4-6-17(7-5-16)20(26)3-2-11-28-12-10-24;14-10-11-3-5-12(6-4-11)13(16)2-1-8-17-9-7-15;1-5(11)6-2-3-7(8(9)12)10-4-6;1-5(10)6-2-3-7(8(11)12)9-4-6;1-4(2)3;1-2/h3-8,14,25H,1-2,9-13,22H2,(H,24,28);4-9,14,24H,2-3,10-13H2,1H3,(H,23,27);3-6,15H,1-2,7-10,14H2;2-4H,1H3;2-4H,1H3,(H,11,12);;1-2H2
InChIKeyKIMYDCAYNLNZNS-UHFFFAOYSA-N
XLogP6.93
TPSA493.15 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001520.94
LogP ≤ 56.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride with MolForge

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Related Compounds

N-(2-aminoethyl)pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate;hydron;[(4E,6Z,8S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[2-(pyridine-3-carbonylamino)ethylamino]-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;thionyl dichloride;hydrochloride
CID 158784108
6-acetylpyridine-2-carboxylic acid;4-[3-(6-acetyl-2-pyridinyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[6-(2-aminoacetyl)-2-pyridinyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine
CID 159616620
6-acetyl-N-[[4-[2-(2-hydroxyethoxy)ethylcarbamoyl]phenyl]methyl]pyridine-2-carboxamide;6-acetylpyridine-2-carboxylic acid;4-[3-[6-(2-aminoacetyl)-2-pyridinyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine
CID 161262497
tert-butyl N-[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl]carbamate;tert-butyl 4-oxo-4-[[(1R)-4-oxo-1-phenyl-4-pyridin-3-ylbutyl]amino]butanoate;[2-oxo-2-[[(1R)-4-oxo-1-phenyl-4-pyridin-3-ylbutyl]amino]ethyl]azanium;pyridine-3-carbonyl chloride;chloride
CID 161580255

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride?
The IUPAC name of 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride (CID 159144520) is 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride.
What is the SMILES notation for 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride?
The canonical SMILES for 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride is CC(=O)c1ccc(C(=O)Cl)nc1.CC(=O)c1ccc(C(=O)NCc2ccc(C(=O)CCCOCCO)cc2)nc1.CC(=O)c1ccc(C(=O)O)nc1.NCC(=O)c1ccc(C(=O)NCc2ccc(C(=O)CCCOCCO)cc2)nc1.NCc1ccc(C(=O)CCCOCCO)cc1.NN.O=S(Cl)Cl.
What is the InChIKey of 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride?
The InChIKey is KIMYDCAYNLNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5.C21H24N2O5.C13H19NO3.C8H6ClNO2.C8H7NO3.Cl2OS.H4N2/c22-12-20(27)17-7-8-18(23-14-17)21(28)24-13-15-3-5-16(6-4-15)19(26)2-1-10-29-11-9-25;1-15(25)18-8-9-19(22-14-18)21(27)23-13-16-4-6-17(7-5-16)20(26)3-2-11-28-12-10-24;14-10-11-3-5-12(6-4-11)13(16)2-1-8-17-9-7-15;1-5(11)6-2-3-7(8(9)12)10-4-6;1-5(10)6-2-3-7(8(11)12)9-4-6;1-4(2)3;1-2/h3-8,14,25H,1-2,9-13,22H2,(H,24,28);4-9,14,24H,2-3,10-13H2,1H3,(H,23,27);3-6,15H,1-2,7-10,14H2;2-4H,1H3;2-4H,1H3,(H,11,12);;1-2H2.
What are the key properties of 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride?
5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride has a molecular weight of 1520.94 g/mol, XLogP of 6.93, 35 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;5-acetylpyridine-2-carbonyl chloride;5-acetylpyridine-2-carboxylic acid;5-(2-aminoacetyl)-N-[[4-[4-(2-hydroxyethoxy)butanoyl]phenyl]methyl]pyridine-2-carboxamide;1-[4-(aminomethyl)phenyl]-4-(2-hydroxyethoxy)butan-1-one;hydrazine;thionyl dichloride is sourced from PubChem (CID 159144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).