N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C31H34N6O5S — CID 121251099

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-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(N3CCC(OCc4ccccc4)CC3)n2)cn1
InChIInChI=1S/C31H34N6O5S/c1-21(2)42-28-14-11-23(19-33-28)26-13-12-25(31(38)36-43(39,40)29-10-6-9-27(32)35-29)30(34-26)37-17-15-24(16-18-37)41-20-22-7-4-3-5-8-22/h3-14,19,21,24H,15-18,20H2,1-2H3,(H2,32,35)(H,36,38)
InChIKeyYHUOEZIKFMXYQR-UHFFFAOYSA-N
MW602.72 g/mol
LogP4.21
Rot. Bonds10

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121251099) has the molecular formula C31H34N6O5S and a molecular weight of 602.72 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121251099
Molecular FormulaC31H34N6O5S
Molecular Weight602.72 g/mol
Exact Mass602.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-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(N3CCC(OCc4ccccc4)CC3)n2)cn1
InChIInChI=1S/C31H34N6O5S/c1-21(2)42-28-14-11-23(19-33-28)26-13-12-25(31(38)36-43(39,40)29-10-6-9-27(32)35-29)30(34-26)37-17-15-24(16-18-37)41-20-22-7-4-3-5-8-22/h3-14,19,21,24H,15-18,20H2,1-2H3,(H2,32,35)(H,36,38)
InChIKeyYHUOEZIKFMXYQR-UHFFFAOYSA-N
XLogP4.21
TPSA149.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.72
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121251099) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-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-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-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(N3CCC(OCc4ccccc4)CC3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is YHUOEZIKFMXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O5S/c1-21(2)42-28-14-11-23(19-33-28)26-13-12-25(31(38)36-43(39,40)29-10-6-9-27(32)35-29)30(34-26)37-17-15-24(16-18-37)41-20-22-7-4-3-5-8-22/h3-14,19,21,24H,15-18,20H2,1-2H3,(H2,32,35)(H,36,38).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 602.72 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121251099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).