N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C27H33N5O3S — CID 175515368

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cc1
InChIInChI=1S/C27H33N5O3S/c1-17(2)19-9-11-20(12-10-19)21-15-22(25(29-16-21)32-14-13-18(3)27(32,4)5)26(33)31-36(34,35)24-8-6-7-23(28)30-24/h6-12,15-18H,13-14H2,1-5H3,(H2,28,30)(H,31,33)
InChIKeyJBJYJRXGUMBWPN-UHFFFAOYSA-N
MW507.66 g/mol
LogP4.59
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515368) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515368
Molecular FormulaC27H33N5O3S
Molecular Weight507.66 g/mol
Exact Mass507.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cc1
InChIInChI=1S/C27H33N5O3S/c1-17(2)19-9-11-20(12-10-19)21-15-22(25(29-16-21)32-14-13-18(3)27(32,4)5)26(33)31-36(34,35)24-8-6-7-23(28)30-24/h6-12,15-18H,13-14H2,1-5H3,(H2,28,30)(H,31,33)
InChIKeyJBJYJRXGUMBWPN-UHFFFAOYSA-N
XLogP4.59
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515368) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)c1ccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)cc1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is JBJYJRXGUMBWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-17(2)19-9-11-20(12-10-19)21-15-22(25(29-16-21)32-14-13-18(3)27(32,4)5)26(33)31-36(34,35)24-8-6-7-23(28)30-24/h6-12,15-18H,13-14H2,1-5H3,(H2,28,30)(H,31,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-propan-2-ylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).