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

C22H31N5O4S — CID 121251051

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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Related Compounds

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide;6-tert-butyl-N-[(6-fluoro-2-pyridinyl)sulfonyl]-2-(4-methylphenyl)pyridine-3-carboxamide
CID 158337359
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175515523
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-ethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 160560665
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251123
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-tert-butylpyrrolidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 167607513
N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)
CID 159271501
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-hydroxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515735
tert-butyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-(2,2,3-trimethylpyrrolidin-1-yl)-2-pyridinyl]-2,3-dihydropyrrole-1-carboxylate
CID 175514593
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(2-methylpropylamino)-2-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515809
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide
CID 121252815
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 161423726

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).