3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide

C13H13FN4O — CID 58459128

IUPAC3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N)c1Nc1cncc(F)c1
InChIInChI=1S/C13H13FN4O/c1-16-13(19)10-3-2-4-11(15)12(10)18-9-5-8(14)6-17-7-9/h2-7,18H,15H2,1H3,(H,16,19)
InChIKeyFYBHIZNSFJFVNO-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide

3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide (PubChem CID 58459128) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide
PubChem CID58459128
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N)c1Nc1cncc(F)c1
InChIInChI=1S/C13H13FN4O/c1-16-13(19)10-3-2-4-11(15)12(10)18-9-5-8(14)6-17-7-9/h2-7,18H,15H2,1H3,(H,16,19)
InChIKeyFYBHIZNSFJFVNO-UHFFFAOYSA-N
XLogP1.91
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114253904
3-amino-2-[[(5-fluoro-3-pyridinyl)amino]methyl]benzamide
CID 123982688
ethyl 3-amino-2-(3-chloro-5-fluoroanilino)benzoate
CID 107370283
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
3-amino-2-bromo-N-methylbenzamide
CID 100681188
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
CID 114253893
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
CID 140627297
N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide
CID 89278624
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109246109

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide?
The IUPAC name of 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide (CID 58459128) is 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide?
The canonical SMILES for 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide is CNC(=O)c1cccc(N)c1Nc1cncc(F)c1.
What is the InChIKey of 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide?
The InChIKey is FYBHIZNSFJFVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-16-13(19)10-3-2-4-11(15)12(10)18-9-5-8(14)6-17-7-9/h2-7,18H,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide?
3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide has a molecular weight of 260.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide is sourced from PubChem (CID 58459128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).