5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide

C14H15FN4O — CID 107594537

IUPAC5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccncc1F
InChIInChI=1S/C14H15FN4O/c1-19(2)13-4-3-9(16)7-10(13)14(20)18-12-5-6-17-8-11(12)15/h3-8H,16H2,1-2H3,(H,17,18,20)
InChIKeySNOXZPOKHPRCOX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.12
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide

5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 107594537) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
PubChem CID107594537
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccncc1F
InChIInChI=1S/C14H15FN4O/c1-19(2)13-4-3-9(16)7-10(13)14(20)18-12-5-6-17-8-11(12)15/h3-8H,16H2,1-2H3,(H,17,18,20)
InChIKeySNOXZPOKHPRCOX-UHFFFAOYSA-N
XLogP2.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide (CID 107594537) is 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide is CN(C)c1ccc(N)cc1C(=O)Nc1ccncc1F.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is SNOXZPOKHPRCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19(2)13-4-3-9(16)7-10(13)14(20)18-12-5-6-17-8-11(12)15/h3-8H,16H2,1-2H3,(H,17,18,20).
What are the key properties of 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide?
5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 107594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).