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

C26H32N6O4S — CID 121252083

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@H](C)CC3(C)C)n2)cn1
InChIInChI=1S/C26H32N6O4S/c1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27/h6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33)/t17-/m1/s1
InChIKeyMALIOMUREQRYCZ-QGZVFWFLSA-N
MW524.65 g/mol
LogP3.65
Rot. Bonds7

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121252083) has the molecular formula C26H32N6O4S and a molecular weight of 524.65 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121252083
Molecular FormulaC26H32N6O4S
Molecular Weight524.65 g/mol
Exact Mass524.22
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@H](C)CC3(C)C)n2)cn1
InChIInChI=1S/C26H32N6O4S/c1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27/h6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33)/t17-/m1/s1
InChIKeyMALIOMUREQRYCZ-QGZVFWFLSA-N
XLogP3.65
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-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-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121252083) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@H](C)CC3(C)C)n2)cn1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MALIOMUREQRYCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27/h6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33)/t17-/m1/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4R)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121252083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).