N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide

C17H18FN3O3 — CID 52807858

IUPACN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-24-17-14(3-2-8-21-17)16(23)20-10-9-19-15(22)11-12-4-6-13(18)7-5-12/h2-8H,9-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyGNRPPMOAMBRFRE-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.32
Rot. Bonds7

About N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 52807858) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
PubChem CID52807858
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-24-17-14(3-2-8-21-17)16(23)20-10-9-19-15(22)11-12-4-6-13(18)7-5-12/h2-8H,9-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyGNRPPMOAMBRFRE-UHFFFAOYSA-N
XLogP1.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
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-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
CID 63284776
N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-methoxypyridine-3-carboxamide
CID 121057982
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide (CID 52807858) is N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is GNRPPMOAMBRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-24-17-14(3-2-8-21-17)16(23)20-10-9-19-15(22)11-12-4-6-13(18)7-5-12/h2-8H,9-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 331.35 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-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 52807858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).