N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C18H27N5O3S — CID 133347670

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCc1noc(C)c1CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H27N5O3S/c1-14-17(15(2)26-21-14)5-4-8-19-18-7-6-16(13-20-18)27(24,25)23-11-9-22(3)10-12-23/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,20)
InChIKeyMKQZALXVDMROQY-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.67
Rot. Bonds7

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133347670) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133347670
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCc1noc(C)c1CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H27N5O3S/c1-14-17(15(2)26-21-14)5-4-8-19-18-7-6-16(13-20-18)27(24,25)23-11-9-22(3)10-12-23/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,20)
InChIKeyMKQZALXVDMROQY-UHFFFAOYSA-N
XLogP1.67
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133406055
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133405566
5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine
CID 55433927
6-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133347459
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
CID 9107417

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133347670) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is Cc1noc(C)c1CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is MKQZALXVDMROQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-14-17(15(2)26-21-14)5-4-8-19-18-7-6-16(13-20-18)27(24,25)23-11-9-22(3)10-12-23/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 393.51 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133347670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).