2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine

C21H25N5O3S — CID 95834966

IUPAC2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine
SMILESCc1cc(Nc2ccccn2)cc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1
InChIInChI=1S/C21H25N5O3S/c1-14-11-18(24-20-8-4-5-9-22-20)12-19(23-14)17-7-6-10-26(13-17)30(27,28)21-15(2)25-29-16(21)3/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,22,23,24)/t17-/m1/s1
InChIKeyOGVJVQPPHUYUEF-QGZVFWFLSA-N
MW427.53 g/mol
LogP3.70
Rot. Bonds5

About 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine

2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine (PubChem CID 95834966) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine
PubChem CID95834966
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine
SMILESCc1cc(Nc2ccccn2)cc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1
InChIInChI=1S/C21H25N5O3S/c1-14-11-18(24-20-8-4-5-9-22-20)12-19(23-14)17-7-6-10-26(13-17)30(27,28)21-15(2)25-29-16(21)3/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,22,23,24)/t17-/m1/s1
InChIKeyOGVJVQPPHUYUEF-QGZVFWFLSA-N
XLogP3.70
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837996
2-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl]-6-methyl-N-(4-methylphenyl)pyridin-4-amine
CID 124946726
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110252370
3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95834999
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 110265009
3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 131909529
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 95834814
3,5-dimethyl-4-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 97199064
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine?
The IUPAC name of 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine (CID 95834966) is 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine.
What is the SMILES notation for 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine?
The canonical SMILES for 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine is Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1.
What is the InChIKey of 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine?
The InChIKey is OGVJVQPPHUYUEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-14-11-18(24-20-8-4-5-9-22-20)12-19(23-14)17-7-6-10-26(13-17)30(27,28)21-15(2)25-29-16(21)3/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,22,23,24)/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine?
2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine has a molecular weight of 427.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine is sourced from PubChem (CID 95834966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).