N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide

C18H24N4O2S — CID 113021097

IUPACN-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
SMILESCC1CCN(c2ccc(Nc3ccc(NS(C)(=O)=O)cn3)cc2)CC1
InChIInChI=1S/C18H24N4O2S/c1-14-9-11-22(12-10-14)17-6-3-15(4-7-17)20-18-8-5-16(13-19-18)21-25(2,23)24/h3-8,13-14,21H,9-12H2,1-2H3,(H,19,20)
InChIKeyTVAHVQWJJHJDIB-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.43
Rot. Bonds5

About N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide

N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide (PubChem CID 113021097) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
PubChem CID113021097
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
SMILESCC1CCN(c2ccc(Nc3ccc(NS(C)(=O)=O)cn3)cc2)CC1
InChIInChI=1S/C18H24N4O2S/c1-14-9-11-22(12-10-14)17-6-3-15(4-7-17)20-18-8-5-16(13-19-18)21-25(2,23)24/h3-8,13-14,21H,9-12H2,1-2H3,(H,19,20)
InChIKeyTVAHVQWJJHJDIB-UHFFFAOYSA-N
XLogP3.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methanesulfonamide
CID 113024878
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788
methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
CID 113035718
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113021087
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
CID 113020978
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide
CID 113015667
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024892
3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113024918

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide (CID 113021097) is N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide is CC1CCN(c2ccc(Nc3ccc(NS(C)(=O)=O)cn3)cc2)CC1.
What is the InChIKey of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide?
The InChIKey is TVAHVQWJJHJDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-9-11-22(12-10-14)17-6-3-15(4-7-17)20-18-8-5-16(13-19-18)21-25(2,23)24/h3-8,13-14,21H,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide?
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113021097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).