N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide

C17H19N5O3S — CID 133317483

IUPACN,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide
SMILESCc1noc(-c2cccnc2NCc2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H19N5O3S/c1-12-20-17(25-21-12)15-5-4-10-18-16(15)19-11-13-6-8-14(9-7-13)26(23,24)22(2)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyWEKIBYRYUPDNQF-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.30
Rot. Bonds6

About N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide

N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide (PubChem CID 133317483) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide
PubChem CID133317483
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide
SMILESCc1noc(-c2cccnc2NCc2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H19N5O3S/c1-12-20-17(25-21-12)15-5-4-10-18-16(15)19-11-13-6-8-14(9-7-13)26(23,24)22(2)3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyWEKIBYRYUPDNQF-UHFFFAOYSA-N
XLogP2.30
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 133317946
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
CID 71913140
4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one
CID 71924550
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318404
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 133317350
4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide
CID 133319742
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133471767
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine
CID 133322060
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 155941527
(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
CID 97009062
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
1-N-benzyl-1-N-methyl-2-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]propane-1,2-diamine
CID 133435816

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide (CID 133317483) is N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide is Cc1noc(-c2cccnc2NCc2ccc(S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
The InChIKey is WEKIBYRYUPDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12-20-17(25-21-12)15-5-4-10-18-16(15)19-11-13-6-8-14(9-7-13)26(23,24)22(2)3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide?
N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 133317483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).