5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide

C21H28N4O2 — CID 109104300

IUPAC5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cncc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C21H28N4O2/c1-25(2)13-7-12-24-21(27)19-14-18(15-22-16-19)20(26)23-11-6-10-17-8-4-3-5-9-17/h3-5,8-9,14-16H,6-7,10-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBWEUQJLYANSPMN-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.13
Rot. Bonds10

About 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide

5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 109104300) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
PubChem CID109104300
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cncc(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C21H28N4O2/c1-25(2)13-7-12-24-21(27)19-14-18(15-22-16-19)20(26)23-11-6-10-17-8-4-3-5-9-17/h3-5,8-9,14-16H,6-7,10-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBWEUQJLYANSPMN-UHFFFAOYSA-N
XLogP2.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.13
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

5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235813
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide (CID 109104300) is 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide is CN(C)CCCNC(=O)c1cncc(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is BWEUQJLYANSPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-25(2)13-7-12-24-21(27)19-14-18(15-22-16-19)20(26)23-11-6-10-17-8-4-3-5-9-17/h3-5,8-9,14-16H,6-7,10-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide?
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).