2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

C19H25N5O2 — CID 109168260

IUPAC2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)NCCCN(C)C)ccn2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-16-5-7-17(8-6-16)23-18-13-15(9-11-20-18)19(26)21-10-4-12-24(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyWRDSWTDGVYAKHR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.47
Rot. Bonds8

About 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (PubChem CID 109168260) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
PubChem CID109168260
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)NCCCN(C)C)ccn2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-16-5-7-17(8-6-16)23-18-13-15(9-11-20-18)19(26)21-10-4-12-24(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyWRDSWTDGVYAKHR-UHFFFAOYSA-N
XLogP2.47
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.47
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

N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168292
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301975
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (CID 109168260) is 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)NCCCN(C)C)ccn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The InChIKey is WRDSWTDGVYAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(25)22-16-5-7-17(8-6-16)23-18-13-15(9-11-20-18)19(26)21-10-4-12-24(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 109168260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).