N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide

C14H13F2N3O2 — CID 115910735

IUPACN-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide
SMILESCc1cc(N)cnc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H13F2N3O2/c1-8-6-9(17)7-18-12(8)19-13(20)10-4-2-3-5-11(10)21-14(15)16/h2-7,14H,17H2,1H3,(H,18,19,20)
InChIKeyPOGFQQDPSUYOJQ-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.83
Rot. Bonds4

About N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide

N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide (PubChem CID 115910735) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide
PubChem CID115910735
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide
SMILESCc1cc(N)cnc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H13F2N3O2/c1-8-6-9(17)7-18-12(8)19-13(20)10-4-2-3-5-11(10)21-14(15)16/h2-7,14H,17H2,1H3,(H,18,19,20)
InChIKeyPOGFQQDPSUYOJQ-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide (CID 115910735) is N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide is Cc1cc(N)cnc1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide?
The InChIKey is POGFQQDPSUYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-6-9(17)7-18-12(8)19-13(20)10-4-2-3-5-11(10)21-14(15)16/h2-7,14H,17H2,1H3,(H,18,19,20).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide?
N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide has a molecular weight of 293.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 115910735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).