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

C19H23N3O3 — CID 6490918

IUPACN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C19H23N3O3/c1-14-6-7-17(11-15(14)2)25-13-18(23)21-9-4-10-22-19(24)16-5-3-8-20-12-16/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXFCROGJKRFMIF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.01
Rot. Bonds8

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

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (PubChem CID 6490918) 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-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
PubChem CID6490918
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C19H23N3O3/c1-14-6-7-17(11-15(14)2)25-13-18(23)21-9-4-10-22-19(24)16-5-3-8-20-12-16/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXFCROGJKRFMIF-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (CID 6490918) is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is Cc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1C.
What is the InChIKey of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The InChIKey is AXFCROGJKRFMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-6-7-17(11-15(14)2)25-13-18(23)21-9-4-10-22-19(24)16-5-3-8-20-12-16/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 6490918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).