N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide

C18H22N4O3 — CID 109153216

IUPACN-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C18H22N4O3/c1-13(23)21-15-5-3-6-16(11-15)22-18(24)14-7-8-17(20-12-14)19-9-4-10-25-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyHHVWUTHFBUHHRE-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.74
Rot. Bonds8

About N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide

N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109153216) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109153216
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C18H22N4O3/c1-13(23)21-15-5-3-6-16(11-15)22-18(24)14-7-8-17(20-12-14)19-9-4-10-25-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyHHVWUTHFBUHHRE-UHFFFAOYSA-N
XLogP2.74
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109153216) is N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cn1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is HHVWUTHFBUHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)21-15-5-3-6-16(11-15)22-18(24)14-7-8-17(20-12-14)19-9-4-10-25-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.74, 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-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).