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N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C27H34N6O4S — CID 121251123

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OCC(C)(C)C)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C27H34N6O4S/c1-17-9-10-18(2)33(17)25-20(26(34)32-38(35,36)24-8-6-7-22(28)31-24)12-13-21(30-25)19-11-14-23(29-15-19)37-16-27(3,4)5/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H2,28,31)(H,32,34)/t17-,18+
InChIKeyMQQLPDNCOWASFT-HDICACEKSA-N
MW538.67 g/mol
LogP4.04
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251123) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251123
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OCC(C)(C)C)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C27H34N6O4S/c1-17-9-10-18(2)33(17)25-20(26(34)32-38(35,36)24-8-6-7-22(28)31-24)12-13-21(30-25)19-11-14-23(29-15-19)37-16-27(3,4)5/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H2,28,31)(H,32,34)/t17-,18+
InChIKeyMQQLPDNCOWASFT-HDICACEKSA-N
XLogP4.04
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-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-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251123) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OCC(C)(C)C)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MQQLPDNCOWASFT-HDICACEKSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-17-9-10-18(2)33(17)25-20(26(34)32-38(35,36)24-8-6-7-22(28)31-24)12-13-21(30-25)19-11-14-23(29-15-19)37-16-27(3,4)5/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H2,28,31)(H,32,34)/t17-,18+.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 4.04, 7 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-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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