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

C28H36N6O4S — CID 121252440

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCCC1(CC)CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1
InChIInChI=1S/C28H36N6O4S/c1-5-28(6-2)15-8-16-34(18-28)26-21(27(35)33-39(36,37)25-10-7-9-23(29)32-25)12-13-22(31-26)20-11-14-24(30-17-20)38-19(3)4/h7,9-14,17,19H,5-6,8,15-16,18H2,1-4H3,(H2,29,32)(H,33,35)
InChIKeySQHXNRIUBPONRL-UHFFFAOYSA-N
MW552.70 g/mol
LogP4.43
Rot. Bonds9

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121252440) has the molecular formula C28H36N6O4S and a molecular weight of 552.70 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121252440
Molecular FormulaC28H36N6O4S
Molecular Weight552.70 g/mol
Exact Mass552.25
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCCC1(CC)CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1
InChIInChI=1S/C28H36N6O4S/c1-5-28(6-2)15-8-16-34(18-28)26-21(27(35)33-39(36,37)25-10-7-9-23(29)32-25)12-13-22(31-26)20-11-14-24(30-17-20)38-19(3)4/h7,9-14,17,19H,5-6,8,15-16,18H2,1-4H3,(H2,29,32)(H,33,35)
InChIKeySQHXNRIUBPONRL-UHFFFAOYSA-N
XLogP4.43
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.70
LogP ≤ 54.43
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-diethylpiperidin-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-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121252440) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-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-diethylpiperidin-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-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CCC1(CC)CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is SQHXNRIUBPONRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4S/c1-5-28(6-2)15-8-16-34(18-28)26-21(27(35)33-39(36,37)25-10-7-9-23(29)32-25)12-13-22(31-26)20-11-14-24(30-17-20)38-19(3)4/h7,9-14,17,19H,5-6,8,15-16,18H2,1-4H3,(H2,29,32)(H,33,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 552.70 g/mol, XLogP of 4.43, 9 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-diethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121252440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).