5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide

C13H11F2N3O — CID 61094910

IUPAC5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H11F2N3O/c1-7-3-2-4-17-12(7)18-13(19)8-5-11(16)10(15)6-9(8)14/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyLVRRBQBGDOLPBP-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.50
Rot. Bonds2

About 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide

5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 61094910) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID61094910
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H11F2N3O/c1-7-3-2-4-17-12(7)18-13(19)8-5-11(16)10(15)6-9(8)14/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyLVRRBQBGDOLPBP-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide
CID 112696541
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
6-amino-N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542800
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
2,5-dimethyl-N-(3-methyl-2-pyridinyl)furan-3-carboxamide
CID 25344560
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide (CID 61094910) is 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is LVRRBQBGDOLPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-7-3-2-4-17-12(7)18-13(19)8-5-11(16)10(15)6-9(8)14/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide?
5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 263.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 61094910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).