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

C28H37N7O3S — CID 175515545

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCN(CC)c1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)n1
InChIInChI=1S/C28H37N7O3S/c1-7-34(8-2)24-17-18(3)16-22(30-24)21-13-12-20(26(31-21)35-15-14-19(4)28(35,5)6)27(36)33-39(37,38)25-11-9-10-23(29)32-25/h9-13,16-17,19H,7-8,14-15H2,1-6H3,(H2,29,32)(H,33,36)
InChIKeyDVRISLXMUKMCTD-UHFFFAOYSA-N
MW551.72 g/mol
LogP4.02
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515545) has the molecular formula C28H37N7O3S and a molecular weight of 551.72 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515545
Molecular FormulaC28H37N7O3S
Molecular Weight551.72 g/mol
Exact Mass551.27
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCN(CC)c1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)n1
InChIInChI=1S/C28H37N7O3S/c1-7-34(8-2)24-17-18(3)16-22(30-24)21-13-12-20(26(31-21)35-15-14-19(4)28(35,5)6)27(36)33-39(37,38)25-11-9-10-23(29)32-25/h9-13,16-17,19H,7-8,14-15H2,1-6H3,(H2,29,32)(H,33,36)
InChIKeyDVRISLXMUKMCTD-UHFFFAOYSA-N
XLogP4.02
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.72
LogP ≤ 54.02
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-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515545) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CCN(CC)c1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is DVRISLXMUKMCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O3S/c1-7-34(8-2)24-17-18(3)16-22(30-24)21-13-12-20(26(31-21)35-15-14-19(4)28(35,5)6)27(36)33-39(37,38)25-11-9-10-23(29)32-25/h9-13,16-17,19H,7-8,14-15H2,1-6H3,(H2,29,32)(H,33,36).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 551.72 g/mol, XLogP of 4.02, 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-(diethylamino)-4-methyl-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).