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

C27H34N6O4S — CID 121251979

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C(C)(C)C3)n2)cn1
InChIInChI=1S/C27H34N6O4S/c1-17(2)37-23-12-9-19(15-29-23)21-11-10-20(25(30-21)33-14-13-18(3)27(4,5)16-33)26(34)32-38(35,36)24-8-6-7-22(28)31-24/h6-12,15,17-18H,13-14,16H2,1-5H3,(H2,28,31)(H,32,34)
InChIKeyAGZGZEPKRXHQAC-UHFFFAOYSA-N
MW538.67 g/mol
LogP3.90
Rot. Bonds7

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251979) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID121251979
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C(C)(C)C3)n2)cn1
InChIInChI=1S/C27H34N6O4S/c1-17(2)37-23-12-9-19(15-29-23)21-11-10-20(25(30-21)33-14-13-18(3)27(4,5)16-33)26(34)32-38(35,36)24-8-6-7-22(28)31-24/h6-12,15,17-18H,13-14,16H2,1-5H3,(H2,28,31)(H,32,34)
InChIKeyAGZGZEPKRXHQAC-UHFFFAOYSA-N
XLogP3.90
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 53.90
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-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide (CID 121251979) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-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-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C(C)(C)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is AGZGZEPKRXHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-17(2)37-23-12-9-19(15-29-23)21-11-10-20(25(30-21)33-14-13-18(3)27(4,5)16-33)26(34)32-38(35,36)24-8-6-7-22(28)31-24/h6-12,15,17-18H,13-14,16H2,1-5H3,(H2,28,31)(H,32,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 3.90, 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-(3,3,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).