2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide

C16H18FN3O — CID 70573736

IUPAC2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide
SMILESCc1ccc(-c2cccc(CN(C)C(=O)CN)c2)c(F)n1
InChIInChI=1S/C16H18FN3O/c1-11-6-7-14(16(17)19-11)13-5-3-4-12(8-13)10-20(2)15(21)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeyKXZBPRSZSMEAEG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.11
Rot. Bonds4

About 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide

2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide (PubChem CID 70573736) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide
PubChem CID70573736
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide
SMILESCc1ccc(-c2cccc(CN(C)C(=O)CN)c2)c(F)n1
InChIInChI=1S/C16H18FN3O/c1-11-6-7-14(16(17)19-11)13-5-3-4-12(8-13)10-20(2)15(21)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeyKXZBPRSZSMEAEG-UHFFFAOYSA-N
XLogP2.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide (CID 70573736) is 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide is Cc1ccc(-c2cccc(CN(C)C(=O)CN)c2)c(F)n1.
What is the InChIKey of 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide?
The InChIKey is KXZBPRSZSMEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-6-7-14(16(17)19-11)13-5-3-4-12(8-13)10-20(2)15(21)9-18/h3-8H,9-10,18H2,1-2H3.
What are the key properties of 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide?
2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide has a molecular weight of 287.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2-fluoro-6-methyl-3-pyridinyl)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70573736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).