N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid

C65H109IN10O9 — CID 159630383

About N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid

N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid (PubChem CID 159630383) has the molecular formula C65H109IN10O9 and a molecular weight of 1301.55 g/mol. Its IUPAC name is N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
• PubChem CID: 159630383
• Molecular Formula: C65H109IN10O9
• Molecular Weight: 1301.55 g/mol
• Exact Mass: 1300.74
• IUPAC Name: N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
• SMILES: CC.CC.CC.CC.CC.CC.CCN(CC)C(=O)C1=NC=CCC1.CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c1ccncc1.CCNCC.CI.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1
• InChI: InChI=1S/2C10H14N2O.C10H16N2O.3C6H5NO2.C4H11N.6C2H6.CH3I/c1-3-12(4-2)10(13)9-5-7-11-8-6-9;1-3-12(4-2)10(13)9-6-5-7-11-8-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5;1-3-5-4-2;7*1-2/h2*5-8H,3-4H2,1-2H3;6,8H,3-5,7H2,1-2H3;3*1-4H,(H,8,9);5H,3-4H2,1-2H3;6*1-2H3;1H3
• InChIKey: MPAUEQZDZKBBQH-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 261.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1301.55
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?

The IUPAC name of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid (CID 159630383) is N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid.

What is the SMILES notation for N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?

The canonical SMILES for N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid is CC.CC.CC.CC.CC.CC.CCN(CC)C(=O)C1=NC=CCC1.CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c1ccncc1.CCNCC.CI.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1ccncc1.

What is the InChIKey of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?

The InChIKey is MPAUEQZDZKBBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2O.C10H16N2O.3C6H5NO2.C4H11N.6C2H6.CH3I/c1-3-12(4-2)10(13)9-5-7-11-8-6-9;1-3-12(4-2)10(13)9-6-5-7-11-8-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5;1-3-5-4-2;7*1-2/h2*5-8H,3-4H2,1-2H3;6,8H,3-5,7H2,1-2H3;3*1-4H,(H,8,9);5H,3-4H2,1-2H3;6*1-2H3;1H3.

What are the key properties of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid?

N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid has a molecular weight of 1301.55 g/mol, XLogP of 14.89, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3,4-dihydropyridine-2-carboxamide;N,N-diethylpyridine-3-carboxamide;N,N-diethylpyridine-4-carboxamide;ethane;N-ethylethanamine;iodomethane;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid is sourced from PubChem (CID 159630383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).