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

C14H13F2N3O — CID 63309173

IUPAC4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-8-3-2-4-18-12(8)7-19-14(20)9-5-10(15)13(17)11(16)6-9/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyBGRAFOSFGARKJB-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.18
Rot. Bonds3

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

4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 63309173) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
PubChem CID63309173
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C14H13F2N3O/c1-8-3-2-4-18-12(8)7-19-14(20)9-5-10(15)13(17)11(16)6-9/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyBGRAFOSFGARKJB-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.18
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

4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-carboxamide
CID 63310048
2-(methylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55204056
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113232081
5-chloro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309175
3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide
CID 63306626

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide (CID 63309173) is 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide is Cc1cccnc1CNC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is BGRAFOSFGARKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8-3-2-4-18-12(8)7-19-14(20)9-5-10(15)13(17)11(16)6-9/h2-6H,7,17H2,1H3,(H,19,20).
What are the key properties of 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 63309173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).