N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

C26H37N5O4S — CID 121251579

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CCOCC3)C2(C)C)n1
InChIInChI=1S/C26H37N5O4S/c1-25(2,3)20-10-9-18(24(32)30-36(33,34)22-8-6-7-21(27)29-22)23(28-20)31-14-11-19(26(31,4)5)17-12-15-35-16-13-17/h6-10,17,19H,11-16H2,1-5H3,(H2,27,29)(H,30,32)
InChIKeyIZXIKKFGQJUSKP-UHFFFAOYSA-N
MW515.68 g/mol
LogP3.51
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251579) has the molecular formula C26H37N5O4S and a molecular weight of 515.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251579
Molecular FormulaC26H37N5O4S
Molecular Weight515.68 g/mol
Exact Mass515.26
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CCOCC3)C2(C)C)n1
InChIInChI=1S/C26H37N5O4S/c1-25(2,3)20-10-9-18(24(32)30-36(33,34)22-8-6-7-21(27)29-22)23(28-20)31-14-11-19(26(31,4)5)17-12-15-35-16-13-17/h6-10,17,19H,11-16H2,1-5H3,(H2,27,29)(H,30,32)
InChIKeyIZXIKKFGQJUSKP-UHFFFAOYSA-N
XLogP3.51
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.68
LogP ≤ 53.51
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-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251579) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CCOCC3)C2(C)C)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is IZXIKKFGQJUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4S/c1-25(2,3)20-10-9-18(24(32)30-36(33,34)22-8-6-7-21(27)29-22)23(28-20)31-14-11-19(26(31,4)5)17-12-15-35-16-13-17/h6-10,17,19H,11-16H2,1-5H3,(H2,27,29)(H,30,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 515.68 g/mol, XLogP of 3.51, 5 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-tert-butyl-2-[2,2-dimethyl-3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).