N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide

C17H19N3O4 — CID 2991541

IUPACN-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O4/c1-23-14-4-6-15(7-5-14)24-12-16(21)19-9-10-20-17(22)13-3-2-8-18-11-13/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyQMWJGUDQCQKSCU-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.02
Rot. Bonds8

About N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 2991541) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID2991541
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O4/c1-23-14-4-6-15(7-5-14)24-12-16(21)19-9-10-20-17(22)13-3-2-8-18-11-13/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyQMWJGUDQCQKSCU-UHFFFAOYSA-N
XLogP1.02
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (CID 2991541) is N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is COc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is QMWJGUDQCQKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-14-4-6-15(7-5-14)24-12-16(21)19-9-10-20-17(22)13-3-2-8-18-11-13/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2991541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).