N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide

C11H16FN3O — CID 133303964

IUPACN-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1cccc(F)n1
InChIInChI=1S/C11H16FN3O/c1-9(16)13-7-4-8-15(2)11-6-3-5-10(12)14-11/h3,5-6H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyXYHHVXJAUXYMQO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.18
Rot. Bonds5

About N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide

N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide (PubChem CID 133303964) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
PubChem CID133303964
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1cccc(F)n1
InChIInChI=1S/C11H16FN3O/c1-9(16)13-7-4-8-15(2)11-6-3-5-10(12)14-11/h3,5-6H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyXYHHVXJAUXYMQO-UHFFFAOYSA-N
XLogP1.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
CID 61229567
6-fluoro-N-methyl-N-pentylpyridin-2-amine
CID 61230318
N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
CID 133303906
N-[3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propyl]acetamide
CID 133303912
N-[3-[methyl-(3-methylquinoxalin-2-yl)amino]propyl]acetamide
CID 133313683
N-[3-(3-chloro-N-methylanilino)propyl]acetamide
CID 154166795
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
CID 133372919
1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol
CID 62338374
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79386016

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide?
The IUPAC name of N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide (CID 133303964) is N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide is CC(=O)NCCCN(C)c1cccc(F)n1.
What is the InChIKey of N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide?
The InChIKey is XYHHVXJAUXYMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-9(16)13-7-4-8-15(2)11-6-3-5-10(12)14-11/h3,5-6H,4,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide?
N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide has a molecular weight of 225.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide is sourced from PubChem (CID 133303964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).