N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide

C14H13F2N3O — CID 115910717

IUPACN-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1cc(N)cnc1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H13F2N3O/c1-7-3-4-10(15)11(12(7)16)14(20)19-13-8(2)5-9(17)6-18-13/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyVDOAWGSGYAYGRR-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.81
Rot. Bonds2

About N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide

N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide (PubChem CID 115910717) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
PubChem CID115910717
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1cc(N)cnc1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H13F2N3O/c1-7-3-4-10(15)11(12(7)16)14(20)19-13-8(2)5-9(17)6-18-13/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyVDOAWGSGYAYGRR-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide
CID 112555425
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309
N-(5-amino-3-methyl-2-pyridinyl)-2,4,5-trimethylfuran-3-carboxamide
CID 112555357
N-(5-amino-3-methyl-2-pyridinyl)-4-hydroxybenzamide
CID 112555394
N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
CID 112555395
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
N-(5-amino-3-methyl-2-pyridinyl)-2,4-dihydroxybenzamide
CID 107721514
N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 112555246
N-(5-amino-3-methyl-2-pyridinyl)-5-bromofuran-2-carboxamide
CID 112555233
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-5-methylbenzamide
CID 112555334

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide (CID 115910717) is N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide is Cc1cc(N)cnc1NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is VDOAWGSGYAYGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-7-3-4-10(15)11(12(7)16)14(20)19-13-8(2)5-9(17)6-18-13/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 115910717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).