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

C65H109N15O7 — CID 158241674

About 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

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 (PubChem CID 158241674) has the molecular formula C65H109N15O7 and a molecular weight of 1212.68 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158241674
• Molecular Formula: C65H109N15O7
• Molecular Weight: 1212.68 g/mol
• Exact Mass: 1211.86
• IUPAC Name: 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
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCN(C)CCNC(=O)c1cccnc1.CN(CCN)CCN.CN(CCN)CCNC(=O)OC(C)(C)C.CN(CCN)CCNC(=O)c1cccnc1.O=C(O)c1cccnc1
• InChI: InChI=1S/C33H48N4O2.C11H18N4O.C10H23N3O2.C6H5NO2.C5H15N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32(38)35-26-28-37(2)29-27-36-33(39)31-23-22-25-34-30-31;1-15(7-4-12)8-6-14-11(16)10-3-2-5-13-9-10;1-10(2,3)15-9(14)12-6-8-13(4)7-5-11;8-6(9)5-2-1-3-7-4-5;1-8(4-2-6)5-3-7/h4-5,7-8,10-11,13-14,16-17,19-20,22-23,25,30H,3,6,9,12,15,18,21,24,26-29H2,1-2H3,(H,35,38)(H,36,39);2-3,5,9H,4,6-8,12H2,1H3,(H,14,16);5-8,11H2,1-4H3,(H,12,14);1-4H,(H,8,9);2-7H2,1H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
• InChIKey: GFPOSLWMECBJSY-VIWOLAFESA-N
• XLogP: 6.06
• TPSA: 318.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1212.68
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCN(C)CCNC(=O)c1cccnc1.CN(CCN)CCN.CN(CCN)CCNC(=O)OC(C)(C)C.CN(CCN)CCNC(=O)c1cccnc1.O=C(O)c1cccnc1.

What is the InChIKey of 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?

The InChIKey is GFPOSLWMECBJSY-VIWOLAFESA-N. The full InChI is InChI=1S/C33H48N4O2.C11H18N4O.C10H23N3O2.C6H5NO2.C5H15N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32(38)35-26-28-37(2)29-27-36-33(39)31-23-22-25-34-30-31;1-15(7-4-12)8-6-14-11(16)10-3-2-5-13-9-10;1-10(2,3)15-9(14)12-6-8-13(4)7-5-11;8-6(9)5-2-1-3-7-4-5;1-8(4-2-6)5-3-7/h4-5,7-8,10-11,13-14,16-17,19-20,22-23,25,30H,3,6,9,12,15,18,21,24,26-29H2,1-2H3,(H,35,38)(H,36,39);2-3,5,9H,4,6-8,12H2,1H3,(H,14,16);5-8,11H2,1-4H3,(H,12,14);1-4H,(H,8,9);2-7H2,1H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-;;;;.

What are the key properties of 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?

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 has a molecular weight of 1212.68 g/mol, XLogP of 6.06, 37 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158241674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).