N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide

C19H25N5O2 — CID 109168419

IUPACN-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NCCCN(C)C)c2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-16-5-7-17(8-6-16)23-19(26)15-9-11-21-18(13-15)20-10-4-12-24(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21)(H,22,25)(H,23,26)
InChIKeySPNDKEGGQOVFOA-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.66
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide

N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide (PubChem CID 109168419) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
PubChem CID109168419
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NCCCN(C)C)c2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-16-5-7-17(8-6-16)23-19(26)15-9-11-21-18(13-15)20-10-4-12-24(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21)(H,22,25)(H,23,26)
InChIKeySPNDKEGGQOVFOA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109168430
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
2-[3-(dimethylamino)propylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109168464
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide
CID 109168441
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167847
N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide (CID 109168419) is N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnc(NCCCN(C)C)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
The InChIKey is SPNDKEGGQOVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(25)22-16-5-7-17(8-6-16)23-19(26)15-9-11-21-18(13-15)20-10-4-12-24(2)3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21)(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109168419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).