N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

C19H25N5O2 — CID 109154328

IUPACN-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NCCCN(C)C)nc2)c1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-16-6-4-7-17(12-16)23-19(26)15-8-9-18(21-13-15)20-10-5-11-24(2)3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,20,21)(H,22,25)(H,23,26)
InChIKeyRHKWVFSXHBKTKV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.66
Rot. Bonds8

About N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (PubChem CID 109154328) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
PubChem CID109154328
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NCCCN(C)C)nc2)c1
InChIInChI=1S/C19H25N5O2/c1-14(25)22-16-6-4-7-17(12-16)23-19(26)15-8-9-18(21-13-15)20-10-5-11-24(2)3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,20,21)(H,22,25)(H,23,26)
InChIKeyRHKWVFSXHBKTKV-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

N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154345
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (CID 109154328) is N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(NCCCN(C)C)nc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The InChIKey is RHKWVFSXHBKTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(25)22-16-6-4-7-17(12-16)23-19(26)15-8-9-18(21-13-15)20-10-5-11-24(2)3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,20,21)(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-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-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109154328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).