(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide

C25H25F3N6O4S — CID 159906237

IUPAC(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide
SMILESCOc1cc(CN)nc(-c2ccccn2)c1.COc1cc(CNS(=O)(=O)C(F)(F)F)nc(-c2ccccn2)c1
InChIInChI=1S/C13H12F3N3O3S.C12H13N3O/c1-22-10-6-9(8-18-23(20,21)13(14,15)16)19-12(7-10)11-4-2-3-5-17-11;1-16-10-6-9(8-13)15-12(7-10)11-4-2-3-5-14-11/h2-7,18H,8H2,1H3;2-7H,8,13H2,1H3
InChIKeyNWPKJFMONQYKEX-UHFFFAOYSA-N
MW562.57 g/mol
LogP3.70
Rot. Bonds8

About (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide

(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide (PubChem CID 159906237) has the molecular formula C25H25F3N6O4S and a molecular weight of 562.57 g/mol. Its IUPAC name is (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide
PubChem CID159906237
Molecular FormulaC25H25F3N6O4S
Molecular Weight562.57 g/mol
Exact Mass562.16
IUPAC Name(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide
SMILESCOc1cc(CN)nc(-c2ccccn2)c1.COc1cc(CNS(=O)(=O)C(F)(F)F)nc(-c2ccccn2)c1
InChIInChI=1S/C13H12F3N3O3S.C12H13N3O/c1-22-10-6-9(8-18-23(20,21)13(14,15)16)19-12(7-10)11-4-2-3-5-17-11;1-16-10-6-9(8-13)15-12(7-10)11-4-2-3-5-14-11/h2-7,18H,8H2,1H3;2-7H,8,13H2,1H3
InChIKeyNWPKJFMONQYKEX-UHFFFAOYSA-N
XLogP3.70
TPSA142.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide (CID 159906237) is (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide is COc1cc(CN)nc(-c2ccccn2)c1.COc1cc(CNS(=O)(=O)C(F)(F)F)nc(-c2ccccn2)c1.
What is the InChIKey of (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide?
The InChIKey is NWPKJFMONQYKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S.C12H13N3O/c1-22-10-6-9(8-18-23(20,21)13(14,15)16)19-12(7-10)11-4-2-3-5-17-11;1-16-10-6-9(8-13)15-12(7-10)11-4-2-3-5-14-11/h2-7,18H,8H2,1H3;2-7H,8,13H2,1H3.
What are the key properties of (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide?
(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide has a molecular weight of 562.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine;1,1,1-trifluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 159906237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).