N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C27H39N5O5S — CID 130223676

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCc1nc(N2C[C@@H](C)CC2(C)C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)cc1C(O)C(O)C1CCCC1
InChIInChI=1S/C27H39N5O5S/c1-5-20-18(24(34)23(33)17-9-6-7-10-17)13-19(25(29-20)32-15-16(2)14-27(32,3)4)26(35)31-38(36,37)22-12-8-11-21(28)30-22/h8,11-13,16-17,23-24,33-34H,5-7,9-10,14-15H2,1-4H3,(H2,28,30)(H,31,35)/t16-,23?,24?/m0/s1
InChIKeyJGZSUQNLPJUPSF-JEACLXLTSA-N
MW545.71 g/mol
LogP2.95
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 130223676) has the molecular formula C27H39N5O5S and a molecular weight of 545.71 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID130223676
Molecular FormulaC27H39N5O5S
Molecular Weight545.71 g/mol
Exact Mass545.27
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCc1nc(N2C[C@@H](C)CC2(C)C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)cc1C(O)C(O)C1CCCC1
InChIInChI=1S/C27H39N5O5S/c1-5-20-18(24(34)23(33)17-9-6-7-10-17)13-19(25(29-20)32-15-16(2)14-27(32,3)4)26(35)31-38(36,37)22-12-8-11-21(28)30-22/h8,11-13,16-17,23-24,33-34H,5-7,9-10,14-15H2,1-4H3,(H2,28,30)(H,31,35)/t16-,23?,24?/m0/s1
InChIKeyJGZSUQNLPJUPSF-JEACLXLTSA-N
XLogP2.95
TPSA158.74 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.71
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-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-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 130223676) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CCc1nc(N2C[C@@H](C)CC2(C)C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)cc1C(O)C(O)C1CCCC1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JGZSUQNLPJUPSF-JEACLXLTSA-N. The full InChI is InChI=1S/C27H39N5O5S/c1-5-20-18(24(34)23(33)17-9-6-7-10-17)13-19(25(29-20)32-15-16(2)14-27(32,3)4)26(35)31-38(36,37)22-12-8-11-21(28)30-22/h8,11-13,16-17,23-24,33-34H,5-7,9-10,14-15H2,1-4H3,(H2,28,30)(H,31,35)/t16-,23?,24?/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 545.71 g/mol, XLogP of 2.95, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-(2-cyclopentyl-1,2-dihydroxyethyl)-6-ethyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 130223676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).