N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide

C18H21N3O3 — CID 6456985

IUPACN-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C18H21N3O3/c1-14-6-4-7-15(12-14)24-13-17(22)20-10-5-11-21-18(23)16-8-2-3-9-19-16/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyRUKBYCJLSNDSSW-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.71
Rot. Bonds8

About N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide

N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide (PubChem CID 6456985) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
PubChem CID6456985
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C18H21N3O3/c1-14-6-4-7-15(12-14)24-13-17(22)20-10-5-11-21-18(23)16-8-2-3-9-19-16/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyRUKBYCJLSNDSSW-UHFFFAOYSA-N
XLogP1.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.71
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-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide (CID 6456985) is N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide is Cc1cccc(OCC(=O)NCCCNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
The InChIKey is RUKBYCJLSNDSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-6-4-7-15(12-14)24-13-17(22)20-10-5-11-21-18(23)16-8-2-3-9-19-16/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide?
N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.71, 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-methylphenoxy)acetyl]amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 6456985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).