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N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide

C22H31N5O4S — CID 121251051

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCOCC1CCN(c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C22H31N5O4S/c1-22(2,3)17-9-8-16(20(24-17)27-12-10-15(11-13-27)14-31-4)21(28)26-32(29,30)19-7-5-6-18(23)25-19/h5-9,15H,10-14H2,1-4H3,(H2,23,25)(H,26,28)
InChIKeyUILKMDYSJQSFDY-UHFFFAOYSA-N
MW461.59 g/mol
LogP2.34
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251051) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID121251051
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCOCC1CCN(c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C22H31N5O4S/c1-22(2,3)17-9-8-16(20(24-17)27-12-10-15(11-13-27)14-31-4)21(28)26-32(29,30)19-7-5-6-18(23)25-19/h5-9,15H,10-14H2,1-4H3,(H2,23,25)(H,26,28)
InChIKeyUILKMDYSJQSFDY-UHFFFAOYSA-N
XLogP2.34
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 52.34
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-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 121251051) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide is COCC1CCN(c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)CC1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is UILKMDYSJQSFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-22(2,3)17-9-8-16(20(24-17)27-12-10-15(11-13-27)14-31-4)21(28)26-32(29,30)19-7-5-6-18(23)25-19/h5-9,15H,10-14H2,1-4H3,(H2,23,25)(H,26,28).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 2.34, 6 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-[4-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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