N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

C30H38FN5O4S — CID 121251950

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCC(C)(C)C1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C30H38FN5O4S/c1-6-30(4,5)25-9-8-14-36(25)28-23(29(37)35-41(38,39)27-11-7-10-26(32)34-27)12-13-24(33-28)20-15-21(31)17-22(16-20)40-18-19(2)3/h7,10-13,15-17,19,25H,6,8-9,14,18H2,1-5H3,(H2,32,34)(H,35,37)
InChIKeyCHEFUDSOFLRLHE-UHFFFAOYSA-N
MW583.73 g/mol
LogP5.42
Rot. Bonds10

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251950) has the molecular formula C30H38FN5O4S and a molecular weight of 583.73 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251950
Molecular FormulaC30H38FN5O4S
Molecular Weight583.73 g/mol
Exact Mass583.26
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCC(C)(C)C1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C30H38FN5O4S/c1-6-30(4,5)25-9-8-14-36(25)28-23(29(37)35-41(38,39)27-11-7-10-26(32)34-27)12-13-24(33-28)20-15-21(31)17-22(16-20)40-18-19(2)3/h7,10-13,15-17,19,25H,6,8-9,14,18H2,1-5H3,(H2,32,34)(H,35,37)
InChIKeyCHEFUDSOFLRLHE-UHFFFAOYSA-N
XLogP5.42
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 55.42
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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251950) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is CCC(C)(C)C1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is CHEFUDSOFLRLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN5O4S/c1-6-30(4,5)25-9-8-14-36(25)28-23(29(37)35-41(38,39)27-11-7-10-26(32)34-27)12-13-24(33-28)20-15-21(31)17-22(16-20)40-18-19(2)3/h7,10-13,15-17,19,25H,6,8-9,14,18H2,1-5H3,(H2,32,34)(H,35,37).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 583.73 g/mol, XLogP of 5.42, 10 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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).