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

C26H29F3N6O4S — CID 121252378

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(CC(F)(F)F)C3)n2)cn1
InChIInChI=1S/C26H29F3N6O4S/c1-16(2)39-22-11-8-18(14-31-22)20-10-9-19(25(36)34-40(37,38)23-7-3-6-21(30)33-23)24(32-20)35-12-4-5-17(15-35)13-26(27,28)29/h3,6-11,14,16-17H,4-5,12-13,15H2,1-2H3,(H2,30,33)(H,34,36)
InChIKeyBDGTUEHORSEZBW-UHFFFAOYSA-N
MW578.62 g/mol
LogP4.20
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 121252378) has the molecular formula C26H29F3N6O4S and a molecular weight of 578.62 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID121252378
Molecular FormulaC26H29F3N6O4S
Molecular Weight578.62 g/mol
Exact Mass578.19
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(CC(F)(F)F)C3)n2)cn1
InChIInChI=1S/C26H29F3N6O4S/c1-16(2)39-22-11-8-18(14-31-22)20-10-9-19(25(36)34-40(37,38)23-7-3-6-21(30)33-23)24(32-20)35-12-4-5-17(15-35)13-26(27,28)29/h3,6-11,14,16-17H,4-5,12-13,15H2,1-2H3,(H2,30,33)(H,34,36)
InChIKeyBDGTUEHORSEZBW-UHFFFAOYSA-N
XLogP4.20
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.62
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

Preparation of (14S)-8-[3-fluoro-5-(2-methylpropoxy)phenyl]-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
CID 139399907
US11377438, Example 182
CID 146525763
US11377438, Example 20
CID 146525843
US11377438, Example 183
CID 146525953
US11377438, Example 98
CID 146525769
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylazetidin-1-yl)pyridine-3-carboxamide
CID 121250415
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-methyl-5-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250426
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azabicyclo[4.1.0]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250430
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250438
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250458
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 121250468
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azaspiro[3.3]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250480

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 121252378) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-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-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(CC(F)(F)F)C3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is BDGTUEHORSEZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O4S/c1-16(2)39-22-11-8-18(14-31-22)20-10-9-19(25(36)34-40(37,38)23-7-3-6-21(30)33-23)24(32-20)35-12-4-5-17(15-35)13-26(27,28)29/h3,6-11,14,16-17H,4-5,12-13,15H2,1-2H3,(H2,30,33)(H,34,36).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 578.62 g/mol, XLogP of 4.20, 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]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121252378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).