8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide

C22H31N5O5S — CID 162801577

IUPAC8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCC(C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1
InChIInChI=1S/C22H31N5O5S/c1-15-21(16(2)32-24-15)33(30,31)25-19-9-5-8-18(11-20(28)26(3)14-19)22(29)27(4)13-17-7-6-10-23-12-17/h6-7,10,12,18-19,25H,5,8-9,11,13-14H2,1-4H3
InChIKeyLDOVCKKITLGEOK-UHFFFAOYSA-N
MW477.59 g/mol
LogP1.64
Rot. Bonds6

About 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide

8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide (PubChem CID 162801577) has the molecular formula C22H31N5O5S and a molecular weight of 477.59 g/mol. Its IUPAC name is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide.

Molecular Properties

Compound Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide
PubChem CID162801577
Molecular FormulaC22H31N5O5S
Molecular Weight477.59 g/mol
Exact Mass477.20
IUPAC Name8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCC(C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1
InChIInChI=1S/C22H31N5O5S/c1-15-21(16(2)32-24-15)33(30,31)25-19-9-5-8-18(11-20(28)26(3)14-19)22(29)27(4)13-17-7-6-10-23-12-17/h6-7,10,12,18-19,25H,5,8-9,11,13-14H2,1-4H3
InChIKeyLDOVCKKITLGEOK-UHFFFAOYSA-N
XLogP1.64
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide
CID 162798076
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 78851154
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
(3R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97276315
(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75529714
(3R)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97207374
(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 51939813
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72936014
1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770732
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78770763

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide?
The IUPAC name of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide (CID 162801577) is 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide.
What is the SMILES notation for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide?
The canonical SMILES for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide is Cc1noc(C)c1S(=O)(=O)NC1CCCC(C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1.
What is the InChIKey of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide?
The InChIKey is LDOVCKKITLGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O5S/c1-15-21(16(2)32-24-15)33(30,31)25-19-9-5-8-18(11-20(28)26(3)14-19)22(29)27(4)13-17-7-6-10-23-12-17/h6-7,10,12,18-19,25H,5,8-9,11,13-14H2,1-4H3.
What are the key properties of 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide?
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide is sourced from PubChem (CID 162801577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).