4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide

C17H28N4O2 — CID 109083911

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)NCCCN(C)C)ccn1
InChIInChI=1S/C17H28N4O2/c1-4-5-6-9-20-17(23)15-13-14(8-11-18-15)16(22)19-10-7-12-21(2)3/h8,11,13H,4-7,9-10,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQSOWLAGWONRTOK-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.68
Rot. Bonds10

About 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide

4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109083911) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109083911
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)NCCCN(C)C)ccn1
InChIInChI=1S/C17H28N4O2/c1-4-5-6-9-20-17(23)15-13-14(8-11-18-15)16(22)19-10-7-12-21(2)3/h8,11,13H,4-7,9-10,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQSOWLAGWONRTOK-UHFFFAOYSA-N
XLogP1.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide (CID 109083911) is 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1cc(C(=O)NCCCN(C)C)ccn1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is QSOWLAGWONRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-5-6-9-20-17(23)15-13-14(8-11-18-15)16(22)19-10-7-12-21(2)3/h8,11,13H,4-7,9-10,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide?
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).