N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

C25H27F3N6O4S — CID 121252081

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(C(F)(F)F)C3)n2)cn1
InChIInChI=1S/C25H27F3N6O4S/c1-15(2)38-21-11-8-16(13-30-21)19-10-9-18(23(31-19)34-12-4-5-17(14-34)25(26,27)28)24(35)33-39(36,37)22-7-3-6-20(29)32-22/h3,6-11,13,15,17H,4-5,12,14H2,1-2H3,(H2,29,32)(H,33,35)
InChIKeyURJGRRHZCJQFIP-UHFFFAOYSA-N
MW564.59 g/mol
LogP3.81
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 121252081) has the molecular formula C25H27F3N6O4S and a molecular weight of 564.59 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID121252081
Molecular FormulaC25H27F3N6O4S
Molecular Weight564.59 g/mol
Exact Mass564.18
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(C(F)(F)F)C3)n2)cn1
InChIInChI=1S/C25H27F3N6O4S/c1-15(2)38-21-11-8-16(13-30-21)19-10-9-18(23(31-19)34-12-4-5-17(14-34)25(26,27)28)24(35)33-39(36,37)22-7-3-6-20(29)32-22/h3,6-11,13,15,17H,4-5,12,14H2,1-2H3,(H2,29,32)(H,33,35)
InChIKeyURJGRRHZCJQFIP-UHFFFAOYSA-N
XLogP3.81
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.59
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 121252081) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(C(F)(F)F)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is URJGRRHZCJQFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O4S/c1-15(2)38-21-11-8-16(13-30-21)19-10-9-18(23(31-19)34-12-4-5-17(14-34)25(26,27)28)24(35)33-39(36,37)22-7-3-6-20(29)32-22/h3,6-11,13,15,17H,4-5,12,14H2,1-2H3,(H2,29,32)(H,33,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 564.59 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121252081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).