5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

C20H25N5O3 — CID 109104366

IUPAC5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(C(=O)NCCCN(C)C)c2)cc1
InChIInChI=1S/C20H25N5O3/c1-14(26)23-17-5-7-18(8-6-17)24-20(28)16-11-15(12-21-13-16)19(27)22-9-4-10-25(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyLOUDBKXGTYLKEZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.97
Rot. Bonds8

About 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (PubChem CID 109104366) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
PubChem CID109104366
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(C(=O)NCCCN(C)C)c2)cc1
InChIInChI=1S/C20H25N5O3/c1-14(26)23-17-5-7-18(8-6-17)24-20(28)16-11-15(12-21-13-16)19(27)22-9-4-10-25(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyLOUDBKXGTYLKEZ-UHFFFAOYSA-N
XLogP1.97
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-5-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109104100
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104343
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (CID 109104366) is 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2cncc(C(=O)NCCCN(C)C)c2)cc1.
What is the InChIKey of 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The InChIKey is LOUDBKXGTYLKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14(26)23-17-5-7-18(8-6-17)24-20(28)16-11-15(12-21-13-16)19(27)22-9-4-10-25(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).