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

C17H19N3O3 — CID 2991309

IUPACN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C17H19N3O3/c1-13-5-4-6-14(11-13)23-12-16(21)19-9-10-20-17(22)15-7-2-3-8-18-15/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyWETZQAOJRXJOMR-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.32
Rot. Bonds7

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

N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 2991309) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
PubChem CID2991309
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C17H19N3O3/c1-13-5-4-6-14(11-13)23-12-16(21)19-9-10-20-17(22)15-7-2-3-8-18-15/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyWETZQAOJRXJOMR-UHFFFAOYSA-N
XLogP1.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.32
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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Related Compounds

2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288837
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 90588299
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 90537660
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 71849880
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide (CID 2991309) is N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide is Cc1cccc(OCC(=O)NCCNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is WETZQAOJRXJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13-5-4-6-14(11-13)23-12-16(21)19-9-10-20-17(22)15-7-2-3-8-18-15/h2-8,11H,9-10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide?
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 2991309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).