N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide

C17H24N6O2S — CID 110093124

IUPACN,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
SMILESCc1cc(Nc2ncccn2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C17H24N6O2S/c1-13-11-15(21-17-18-7-4-8-19-17)12-16(20-13)14-5-9-23(10-6-14)26(24,25)22(2)3/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3,(H,18,19,20,21)
InChIKeyXFSPBHHHEAJXIO-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.91
Rot. Bonds5

About N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide

N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide (PubChem CID 110093124) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
PubChem CID110093124
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
SMILESCc1cc(Nc2ncccn2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C17H24N6O2S/c1-13-11-15(21-17-18-7-4-8-19-17)12-16(20-13)14-5-9-23(10-6-14)26(24,25)22(2)3/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3,(H,18,19,20,21)
InChIKeyXFSPBHHHEAJXIO-UHFFFAOYSA-N
XLogP1.91
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093129
N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093095
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 124949686
N,N-dimethyl-4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidine-1-sulfonamide
CID 92617323
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
N,N-dimethyl-4-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 95845148
N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110264925
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093101
3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124952390
(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 95842363
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093178
(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 124976984

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide (CID 110093124) is N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide is Cc1cc(Nc2ncccn2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1.
What is the InChIKey of N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide?
The InChIKey is XFSPBHHHEAJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-13-11-15(21-17-18-7-4-8-19-17)12-16(20-13)14-5-9-23(10-6-14)26(24,25)22(2)3/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3,(H,18,19,20,21).
What are the key properties of N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide has a molecular weight of 376.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide is sourced from PubChem (CID 110093124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).