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

C26H32N6O4S — CID 121253217

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(C)(C)C3)n2)cn1
InChIInChI=1S/C26H32N6O4S/c1-17(2)36-22-12-9-18(15-28-22)20-11-10-19(24(29-20)32-14-6-13-26(3,4)16-32)25(33)31-37(34,35)23-8-5-7-21(27)30-23/h5,7-12,15,17H,6,13-14,16H2,1-4H3,(H2,27,30)(H,31,33)
InChIKeySSSVKMUVOAAPAP-UHFFFAOYSA-N
MW524.65 g/mol
LogP3.65
Rot. Bonds7

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121253217) has the molecular formula C26H32N6O4S and a molecular weight of 524.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121253217
Molecular FormulaC26H32N6O4S
Molecular Weight524.65 g/mol
Exact Mass524.22
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(C)(C)C3)n2)cn1
InChIInChI=1S/C26H32N6O4S/c1-17(2)36-22-12-9-18(15-28-22)20-11-10-19(24(29-20)32-14-6-13-26(3,4)16-32)25(33)31-37(34,35)23-8-5-7-21(27)30-23/h5,7-12,15,17H,6,13-14,16H2,1-4H3,(H2,27,30)(H,31,33)
InChIKeySSSVKMUVOAAPAP-UHFFFAOYSA-N
XLogP3.65
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 53.65
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]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121253217) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(C)(C)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is SSSVKMUVOAAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-17(2)36-22-12-9-18(15-28-22)20-11-10-19(24(29-20)32-14-6-13-26(3,4)16-32)25(33)31-37(34,35)23-8-5-7-21(27)30-23/h5,7-12,15,17H,6,13-14,16H2,1-4H3,(H2,27,30)(H,31,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 3.65, 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]-2-(3,3-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121253217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).