N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide

C19H23N3O3 — CID 2987876

IUPACN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2ccncc2)cc1C
InChIInChI=1S/C19H23N3O3/c1-14-4-5-17(12-15(14)2)25-13-18(23)21-8-3-9-22-19(24)16-6-10-20-11-7-16/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJAKRPVICVXGDHX-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.01
Rot. Bonds8

About N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide (PubChem CID 2987876) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
PubChem CID2987876
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2ccncc2)cc1C
InChIInChI=1S/C19H23N3O3/c1-14-4-5-17(12-15(14)2)25-13-18(23)21-8-3-9-22-19(24)16-6-10-20-11-7-16/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJAKRPVICVXGDHX-UHFFFAOYSA-N
XLogP2.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-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-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
[4-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propylcarbamoyl]phenyl] ethyl carbonate
CID 108932305
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545672
ethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]butanoate
CID 60624626
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682442
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide (CID 2987876) is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide is Cc1ccc(OCC(=O)NCCCNC(=O)c2ccncc2)cc1C.
What is the InChIKey of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The InChIKey is JAKRPVICVXGDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-4-5-17(12-15(14)2)25-13-18(23)21-8-3-9-22-19(24)16-6-10-20-11-7-16/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 2987876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).