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

C61H77N11O16 — CID 161262497

IUPAC6-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
SMILESCC(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCCOCCO)cc2)n1.CC(=O)c1cccc(C(=O)O)n1.NCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)n1.NCc1ccc(C(=O)NCCOCCO)cc1.NN
InChIInChI=1S/C21H25N3O5.C20H23N3O5.C12H18N2O3.C8H7NO3.H4N2/c22-14-20(27)18-3-1-2-17(24-18)19(26)9-6-15-4-7-16(8-5-15)21(28)23-10-12-29-13-11-25;1-14(25)17-3-2-4-18(23-17)20(27)22-13-15-5-7-16(8-6-15)19(26)21-9-11-28-12-10-24;13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15;1-5(10)6-3-2-4-7(9-6)8(11)12;1-2/h1-5,7-8,25H,6,9-14,22H2,(H,23,28);2-8,24H,9-13H2,1H3,(H,21,26)(H,22,27);1-4,15H,5-9,13H2,(H,14,16);2-4H,1H3,(H,11,12);1-2H2
InChIKeyVCSWXBXGIHLGQP-UHFFFAOYSA-N
MW1220.35 g/mol
LogP1.42
Rot. Bonds31

About 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

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 (PubChem CID 161262497) has the molecular formula C61H77N11O16 and a molecular weight of 1220.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID161262497
Molecular FormulaC61H77N11O16
Molecular Weight1220.35 g/mol
Exact Mass1219.55
IUPAC Name6-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
SMILESCC(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCCOCCO)cc2)n1.CC(=O)c1cccc(C(=O)O)n1.NCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)n1.NCc1ccc(C(=O)NCCOCCO)cc1.NN
InChIInChI=1S/C21H25N3O5.C20H23N3O5.C12H18N2O3.C8H7NO3.H4N2/c22-14-20(27)18-3-1-2-17(24-18)19(26)9-6-15-4-7-16(8-5-15)21(28)23-10-12-29-13-11-25;1-14(25)17-3-2-4-18(23-17)20(27)22-13-15-5-7-16(8-6-15)19(26)21-9-11-28-12-10-24;13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15;1-5(10)6-3-2-4-7(9-6)8(11)12;1-2/h1-5,7-8,25H,6,9-14,22H2,(H,23,28);2-8,24H,9-13H2,1H3,(H,21,26)(H,22,27);1-4,15H,5-9,13H2,(H,14,16);2-4H,1H3,(H,11,12);1-2H2
InChIKeyVCSWXBXGIHLGQP-UHFFFAOYSA-N
XLogP1.42
TPSA453.11 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.35
LogP ≤ 51.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCCOCCO)cc2)n1.CC(=O)c1cccc(C(=O)O)n1.NCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)n1.NCc1ccc(C(=O)NCCOCCO)cc1.NN.
What is the InChIKey of 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?
The InChIKey is VCSWXBXGIHLGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5.C20H23N3O5.C12H18N2O3.C8H7NO3.H4N2/c22-14-20(27)18-3-1-2-17(24-18)19(26)9-6-15-4-7-16(8-5-15)21(28)23-10-12-29-13-11-25;1-14(25)17-3-2-4-18(23-17)20(27)22-13-15-5-7-16(8-6-15)19(26)21-9-11-28-12-10-24;13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15;1-5(10)6-3-2-4-7(9-6)8(11)12;1-2/h1-5,7-8,25H,6,9-14,22H2,(H,23,28);2-8,24H,9-13H2,1H3,(H,21,26)(H,22,27);1-4,15H,5-9,13H2,(H,14,16);2-4H,1H3,(H,11,12);1-2H2.
What are the key properties of 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?
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 has a molecular weight of 1220.35 g/mol, XLogP of 1.42, 31 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161262497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).