2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid

C61H97N11O7S8 — CID 158036681

IUPAC2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCSSCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSCCNC(=O)c1cccnc1.NCCSSCCN.NCCSSCCNC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C32H45N3O2S2.C10H15N3OS2.C9H20N2O2S2.C6H5NO2.C4H12N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(36)34-25-27-38-39-28-26-35-32(37)30-22-21-24-33-29-30;11-3-6-15-16-7-5-13-10(14)9-2-1-4-12-8-9;1-9(2,3)13-8(12)11-5-7-15-14-6-4-10;8-6(9)5-2-1-3-7-4-5;5-1-3-7-8-4-2-6/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24,29H,2,5,8,11,14,17,20,23,25-28H2,1H3,(H,34,36)(H,35,37);1-2,4,8H,3,5-7,11H2,(H,13,14);4-7,10H2,1-3H3,(H,11,12);1-4H,(H,8,9);1-6H2/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;;;
InChIKeyFHVIXBGVLMJHPL-CKSVZCJWSA-N
MW1353.05 g/mol
LogP11.85
Rot. Bonds41

About 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid

2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid (PubChem CID 158036681) has the molecular formula C61H97N11O7S8 and a molecular weight of 1353.05 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
PubChem CID158036681
Molecular FormulaC61H97N11O7S8
Molecular Weight1353.05 g/mol
Exact Mass1351.53
IUPAC Name2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCSSCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSCCNC(=O)c1cccnc1.NCCSSCCN.NCCSSCCNC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C32H45N3O2S2.C10H15N3OS2.C9H20N2O2S2.C6H5NO2.C4H12N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(36)34-25-27-38-39-28-26-35-32(37)30-22-21-24-33-29-30;11-3-6-15-16-7-5-13-10(14)9-2-1-4-12-8-9;1-9(2,3)13-8(12)11-5-7-15-14-6-4-10;8-6(9)5-2-1-3-7-4-5;5-1-3-7-8-4-2-6/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24,29H,2,5,8,11,14,17,20,23,25-28H2,1H3,(H,34,36)(H,35,37);1-2,4,8H,3,5-7,11H2,(H,13,14);4-7,10H2,1-3H3,(H,11,12);1-4H,(H,8,9);1-6H2/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;;;
InChIKeyFHVIXBGVLMJHPL-CKSVZCJWSA-N
XLogP11.85
TPSA305.68 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds41
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001353.05
LogP ≤ 511.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylpyridin-1-ium;1-methylpyridin-1-ium-3-carboxamide;1-methylpyridin-1-ium-3-carboxylic acid;tetramethylazanium
CID 53900929
bis(N-methylpropanamide);pyridine-3-carboxylic acid;1-pyridin-3-ylethanone
CID 157240121
6-[[Bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;tert-butyl 4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 157373503
Azanium;ethene;1-methylpyridin-1-ium-3-carboxamide;bis(1-methylpyridin-1-ium-3-carboxylate);pyridine-3-carboxylic acid;pyridin-1-ium-3-carboxamide;hydrate
CID 157710875
Azanium;1-methylpyridin-1-ium-3-carboxamide;bis(1-methylpyridin-1-ium-3-carboxylate);pyridine-3-carboxylic acid;pyridin-1-ium-3-carboxamide;hydrate
CID 157954030
(3-aminopyrrolidin-1-yl)-pyridin-3-ylmethanone;tert-butyl N-cyclopentylcarbamate;tert-butyl N-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]carbamate;pyridine-3-carboxylic acid
CID 158008964
N-(2-aminoethyl)pyridine-3-carboxamide;N-[(5S)-5-amino-4-oxohexyl]pyridine-3-carboxamide;tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate;N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-4-oxohexyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 158154702
N-[2-[2-aminoethyl(methyl)amino]ethyl]pyridine-3-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;tert-butyl N-[2-[2-aminoethyl(methyl)amino]ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl-methylamino]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 158241674
(5Z,8Z,11Z,14Z,17Z)-1-[(3S)-3-aminopyrrolidin-1-yl]icosa-5,8,11,14,17-pentaen-1-one;N-(2-oxopropyl)pyridine-3-carboxamide;pyridine-3-carboxylic acid;N-[(3S)-pyrrolidin-3-yl]pyridine-3-carboxamide;sulfane
CID 158750387
2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 158819069
Lithium;1-(4-fluoropiperidin-4-yl)ethanone;4-fluoro-1-(pyridine-3-carbonyl)piperidine-4-carboxylic acid;1-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]ethanone;pyridine-3-carboxylic acid;hydroxide
CID 158847953
6-Aminopyridine-3-carboxylic acid;tert-butyl 4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 159126562

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid (CID 158036681) is 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NCCSSCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSCCNC(=O)c1cccnc1.NCCSSCCN.NCCSSCCNC(=O)c1cccnc1.O=C(O)c1cccnc1.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The InChIKey is FHVIXBGVLMJHPL-CKSVZCJWSA-N. The full InChI is InChI=1S/C32H45N3O2S2.C10H15N3OS2.C9H20N2O2S2.C6H5NO2.C4H12N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(36)34-25-27-38-39-28-26-35-32(37)30-22-21-24-33-29-30;11-3-6-15-16-7-5-13-10(14)9-2-1-4-12-8-9;1-9(2,3)13-8(12)11-5-7-15-14-6-4-10;8-6(9)5-2-1-3-7-4-5;5-1-3-7-8-4-2-6/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24,29H,2,5,8,11,14,17,20,23,25-28H2,1H3,(H,34,36)(H,35,37);1-2,4,8H,3,5-7,11H2,(H,13,14);4-7,10H2,1-3H3,(H,11,12);1-4H,(H,8,9);1-6H2/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;;;.
What are the key properties of 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid has a molecular weight of 1353.05 g/mol, XLogP of 11.85, 41 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)ethanamine;N-[2-(2-aminoethyldisulfanyl)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid is sourced from PubChem (CID 158036681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).