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

C27H34N6O4S — CID 121251749

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCCC1(C)CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1
InChIInChI=1S/C27H34N6O4S/c1-5-27(4)14-7-15-33(17-27)25-20(26(34)32-38(35,36)24-9-6-8-22(28)31-24)11-12-21(30-25)19-10-13-23(29-16-19)37-18(2)3/h6,8-13,16,18H,5,7,14-15,17H2,1-4H3,(H2,28,31)(H,32,34)
InChIKeyCTAYYWCTQOQRAS-UHFFFAOYSA-N
MW538.67 g/mol
LogP4.04
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121251749) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121251749
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCCC1(C)CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1
InChIInChI=1S/C27H34N6O4S/c1-5-27(4)14-7-15-33(17-27)25-20(26(34)32-38(35,36)24-9-6-8-22(28)31-24)11-12-21(30-25)19-10-13-23(29-16-19)37-18(2)3/h6,8-13,16,18H,5,7,14-15,17H2,1-4H3,(H2,28,31)(H,32,34)
InChIKeyCTAYYWCTQOQRAS-UHFFFAOYSA-N
XLogP4.04
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 54.04
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-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121251749) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-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-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CCC1(C)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-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is CTAYYWCTQOQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-5-27(4)14-7-15-33(17-27)25-20(26(34)32-38(35,36)24-9-6-8-22(28)31-24)11-12-21(30-25)19-10-13-23(29-16-19)37-18(2)3/h6,8-13,16,18H,5,7,14-15,17H2,1-4H3,(H2,28,31)(H,32,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 4.04, 8 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-ethyl-3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121251749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).