5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide

C13H12FN3O2 — CID 116812517

IUPAC5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1cccc(F)n1
InChIInChI=1S/C13H12FN3O2/c1-19-10-6-5-8(15)7-9(10)13(18)17-12-4-2-3-11(14)16-12/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyKBKCUBFCTQUKEU-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.06
Rot. Bonds3

About 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide

5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide (PubChem CID 116812517) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide
PubChem CID116812517
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1cccc(F)n1
InChIInChI=1S/C13H12FN3O2/c1-19-10-6-5-8(15)7-9(10)13(18)17-12-4-2-3-11(14)16-12/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyKBKCUBFCTQUKEU-UHFFFAOYSA-N
XLogP2.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 61090906
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 61104250
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61092626
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
CID 82013560
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763
2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
CID 113462597
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide (CID 116812517) is 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)Nc1cccc(F)n1.
What is the InChIKey of 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide?
The InChIKey is KBKCUBFCTQUKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-10-6-5-8(15)7-9(10)13(18)17-12-4-2-3-11(14)16-12/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide?
5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide has a molecular weight of 261.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-fluoro-2-pyridinyl)-2-methoxybenzamide is sourced from PubChem (CID 116812517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).