N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine

C20H31N5O2S — CID 133477635

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H31N5O2S/c1-15(18-14-25(20(3,4)5)23-16(18)2)22-19-10-9-17(13-21-19)28(26,27)24-11-7-6-8-12-24/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,21,22)
InChIKeyKVRHOKDYBUVEEB-UHFFFAOYSA-N
MW405.57 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133477635) has the molecular formula C20H31N5O2S and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133477635
Molecular FormulaC20H31N5O2S
Molecular Weight405.57 g/mol
Exact Mass405.22
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H31N5O2S/c1-15(18-14-25(20(3,4)5)23-16(18)2)22-19-10-9-17(13-21-19)28(26,27)24-11-7-6-8-12-24/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,21,22)
InChIKeyKVRHOKDYBUVEEB-UHFFFAOYSA-N
XLogP3.69
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133350405
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
CID 55827922
N-[1-(2,3-dichlorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133307787
N-[1-(4-methylmorpholin-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133386475
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133291954
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 133477635) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine is Cc1nn(C(C)(C)C)cc1C(C)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is KVRHOKDYBUVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2S/c1-15(18-14-25(20(3,4)5)23-16(18)2)22-19-10-9-17(13-21-19)28(26,27)24-11-7-6-8-12-24/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,21,22).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 405.57 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133477635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).