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

C25H29N5O4S — CID 175515724

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2CCC(C)C2(C)C)n1
InChIInChI=1S/C25H29N5O4S/c1-16-13-15-30(25(16,2)3)23-18(11-12-19(28-23)17-8-5-6-9-20(17)34-4)24(31)29-35(32,33)21-10-7-14-27-22(21)26/h5-12,14,16H,13,15H2,1-4H3,(H2,26,27)(H,29,31)
InChIKeyQNLDNBDOWLELOU-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.48
Rot. Bonds6

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515724) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515724
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2CCC(C)C2(C)C)n1
InChIInChI=1S/C25H29N5O4S/c1-16-13-15-30(25(16,2)3)23-18(11-12-19(28-23)17-8-5-6-9-20(17)34-4)24(31)29-35(32,33)21-10-7-14-27-22(21)26/h5-12,14,16H,13,15H2,1-4H3,(H2,26,27)(H,29,31)
InChIKeyQNLDNBDOWLELOU-UHFFFAOYSA-N
XLogP3.48
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515724) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2CCC(C)C2(C)C)n1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is QNLDNBDOWLELOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-16-13-15-30(25(16,2)3)23-18(11-12-19(28-23)17-8-5-6-9-20(17)34-4)24(31)29-35(32,33)21-10-7-14-27-22(21)26/h5-12,14,16H,13,15H2,1-4H3,(H2,26,27)(H,29,31).
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).