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

C27H34N6O4S — CID 175515787

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(OC(C)C)ncc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C)C2(C)C)n1
InChIInChI=1S/C27H34N6O4S/c1-16(2)37-23-14-17(3)20(15-29-23)21-11-10-19(25(30-21)33-13-12-18(4)27(33,5)6)26(34)32-38(35,36)24-9-7-8-22(28)31-24/h7-11,14-16,18H,12-13H2,1-6H3,(H2,28,31)(H,32,34)
InChIKeyHGLNRVUSTDATLT-UHFFFAOYSA-N
MW538.67 g/mol
LogP3.96
Rot. Bonds7

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515787) 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-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515787
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(OC(C)C)ncc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C)C2(C)C)n1
InChIInChI=1S/C27H34N6O4S/c1-16(2)37-23-14-17(3)20(15-29-23)21-11-10-19(25(30-21)33-13-12-18(4)27(33,5)6)26(34)32-38(35,36)24-9-7-8-22(28)31-24/h7-11,14-16,18H,12-13H2,1-6H3,(H2,28,31)(H,32,34)
InChIKeyHGLNRVUSTDATLT-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515787) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cc(OC(C)C)ncc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C)C2(C)C)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is HGLNRVUSTDATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-16(2)37-23-14-17(3)20(15-29-23)21-11-10-19(25(30-21)33-13-12-18(4)27(33,5)6)26(34)32-38(35,36)24-9-7-8-22(28)31-24/h7-11,14-16,18H,12-13H2,1-6H3,(H2,28,31)(H,32,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 3.96, 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-(4-methyl-6-propan-2-yloxy-3-pyridinyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).