3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide

C15H16FN3O2 — CID 62991277

IUPAC3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(N)c(C)c(F)c2)cn1
InChIInChI=1S/C15H16FN3O2/c1-9-12(16)5-11(6-13(9)17)15(20)19-8-10-3-4-14(21-2)18-7-10/h3-7H,8,17H2,1-2H3,(H,19,20)
InChIKeyKYNNTLVRTZPJMX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.05
Rot. Bonds4

About 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide

3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide (PubChem CID 62991277) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
PubChem CID62991277
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(N)c(C)c(F)c2)cn1
InChIInChI=1S/C15H16FN3O2/c1-9-12(16)5-11(6-13(9)17)15(20)19-8-10-3-4-14(21-2)18-7-10/h3-7H,8,17H2,1-2H3,(H,19,20)
InChIKeyKYNNTLVRTZPJMX-UHFFFAOYSA-N
XLogP2.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide (CID 62991277) is 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide is COc1ccc(CNC(=O)c2cc(N)c(C)c(F)c2)cn1.
What is the InChIKey of 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
The InChIKey is KYNNTLVRTZPJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-12(16)5-11(6-13(9)17)15(20)19-8-10-3-4-14(21-2)18-7-10/h3-7H,8,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 62991277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).