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

C28H37N7O3S — CID 121251049

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)c1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1
InChIInChI=1S/C28H37N7O3S/c1-7-34(8-2)24-15-20(14-19(4)30-24)22-13-12-21(26(31-22)35-17-18(3)16-28(35,5)6)27(36)33-39(37,38)25-11-9-10-23(29)32-25/h9-15,18H,7-8,16-17H2,1-6H3,(H2,29,32)(H,33,36)/t18-/m0/s1
InChIKeyVAGQUVBVWJZWRB-SFHVURJKSA-N
MW551.72 g/mol
LogP4.02
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251049) 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-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251049
Molecular FormulaC28H37N7O3S
Molecular Weight551.72 g/mol
Exact Mass551.27
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)c1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1
InChIInChI=1S/C28H37N7O3S/c1-7-34(8-2)24-15-20(14-19(4)30-24)22-13-12-21(26(31-22)35-17-18(3)16-28(35,5)6)27(36)33-39(37,38)25-11-9-10-23(29)32-25/h9-15,18H,7-8,16-17H2,1-6H3,(H2,29,32)(H,33,36)/t18-/m0/s1
InChIKeyVAGQUVBVWJZWRB-SFHVURJKSA-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

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-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-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251049) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CCN(CC)c1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is VAGQUVBVWJZWRB-SFHVURJKSA-N. The full InChI is InChI=1S/C28H37N7O3S/c1-7-34(8-2)24-15-20(14-19(4)30-24)22-13-12-21(26(31-22)35-17-18(3)16-28(35,5)6)27(36)33-39(37,38)25-11-9-10-23(29)32-25/h9-15,18H,7-8,16-17H2,1-6H3,(H2,29,32)(H,33,36)/t18-/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-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-[2-(diethylamino)-6-methyl-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).