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

C29H35N5O4S — CID 175515377

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncc(-c3cccc(OC4CCCC4)c3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C29H35N5O4S/c1-19-14-15-34(29(19,2)3)27-24(28(35)33-39(36,37)26-13-7-12-25(30)32-26)17-21(18-31-27)20-8-6-11-23(16-20)38-22-9-4-5-10-22/h6-8,11-13,16-19,22H,4-5,9-10,14-15H2,1-3H3,(H2,30,32)(H,33,35)
InChIKeyZWQBOJNKBKGJAB-UHFFFAOYSA-N
MW549.70 g/mol
LogP4.79
Rot. Bonds7

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

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515377) has the molecular formula C29H35N5O4S and a molecular weight of 549.70 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515377
Molecular FormulaC29H35N5O4S
Molecular Weight549.70 g/mol
Exact Mass549.24
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncc(-c3cccc(OC4CCCC4)c3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C29H35N5O4S/c1-19-14-15-34(29(19,2)3)27-24(28(35)33-39(36,37)26-13-7-12-25(30)32-26)17-21(18-31-27)20-8-6-11-23(16-20)38-22-9-4-5-10-22/h6-8,11-13,16-19,22H,4-5,9-10,14-15H2,1-3H3,(H2,30,32)(H,33,35)
InChIKeyZWQBOJNKBKGJAB-UHFFFAOYSA-N
XLogP4.79
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.70
LogP ≤ 54.79
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-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515377) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncc(-c3cccc(OC4CCCC4)c3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZWQBOJNKBKGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4S/c1-19-14-15-34(29(19,2)3)27-24(28(35)33-39(36,37)26-13-7-12-25(30)32-26)17-21(18-31-27)20-8-6-11-23(16-20)38-22-9-4-5-10-22/h6-8,11-13,16-19,22H,4-5,9-10,14-15H2,1-3H3,(H2,30,32)(H,33,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 549.70 g/mol, XLogP of 4.79, 7 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-(3-cyclopentyloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).