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

C26H32N6O4S — CID 130211387

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOCc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1
InChIInChI=1S/C26H32N6O4S/c1-16-11-18(15-36-5)29-21(12-16)20-9-8-19(24(30-20)32-14-17(2)13-26(32,3)4)25(33)31-37(34,35)22-7-6-10-28-23(22)27/h6-12,17H,13-15H2,1-5H3,(H2,27,28)(H,31,33)/t17-/m0/s1
InChIKeyTZKQDOCNIXZDES-KRWDZBQOSA-N
MW524.65 g/mol
LogP3.32
Rot. Bonds7

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 130211387) 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-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID130211387
Molecular FormulaC26H32N6O4S
Molecular Weight524.65 g/mol
Exact Mass524.22
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOCc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1
InChIInChI=1S/C26H32N6O4S/c1-16-11-18(15-36-5)29-21(12-16)20-9-8-19(24(30-20)32-14-17(2)13-26(32,3)4)25(33)31-37(34,35)22-7-6-10-28-23(22)27/h6-12,17H,13-15H2,1-5H3,(H2,27,28)(H,31,33)/t17-/m0/s1
InChIKeyTZKQDOCNIXZDES-KRWDZBQOSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 130211387) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COCc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is TZKQDOCNIXZDES-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-16-11-18(15-36-5)29-21(12-16)20-9-8-19(24(30-20)32-14-17(2)13-26(32,3)4)25(33)31-37(34,35)22-7-6-10-28-23(22)27/h6-12,17H,13-15H2,1-5H3,(H2,27,28)(H,31,33)/t17-/m0/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 3.32, 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-(methoxymethyl)-4-methyl-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 130211387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).