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

C26H32N6O3S — CID 121253388

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(-c3ccc(N(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C26H32N6O3S/c1-17-14-26(2,3)32(16-17)24-21(25(33)30-36(34,35)23-8-6-7-22(27)29-23)13-19(15-28-24)18-9-11-20(12-10-18)31(4)5/h6-13,15,17H,14,16H2,1-5H3,(H2,27,29)(H,30,33)
InChIKeyFURAMERRZSLEGY-UHFFFAOYSA-N
MW508.65 g/mol
LogP3.54
Rot. Bonds6

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

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253388) has the molecular formula C26H32N6O3S and a molecular weight of 508.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253388
Molecular FormulaC26H32N6O3S
Molecular Weight508.65 g/mol
Exact Mass508.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(-c3ccc(N(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C26H32N6O3S/c1-17-14-26(2,3)32(16-17)24-21(25(33)30-36(34,35)23-8-6-7-22(27)29-23)13-19(15-28-24)18-9-11-20(12-10-18)31(4)5/h6-13,15,17H,14,16H2,1-5H3,(H2,27,29)(H,30,33)
InChIKeyFURAMERRZSLEGY-UHFFFAOYSA-N
XLogP3.54
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.65
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253388) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncc(-c3ccc(N(C)C)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is FURAMERRZSLEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3S/c1-17-14-26(2,3)32(16-17)24-21(25(33)30-36(34,35)23-8-6-7-22(27)29-23)13-19(15-28-24)18-9-11-20(12-10-18)31(4)5/h6-13,15,17H,14,16H2,1-5H3,(H2,27,29)(H,30,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 508.65 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).