N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

C21H22N4O5S — CID 134604392

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cn2)cn1
InChIInChI=1S/C21H22N4O5S/c1-13-3-4-15(9-22-13)20-18(14(2)30-25-20)11-29-19-6-5-16(10-23-19)21(26)24-17-7-8-31(27,28)12-17/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyZDWVXHPNJXPYJD-KRWDZBQOSA-N
MW442.50 g/mol
LogP2.24
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (PubChem CID 134604392) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
PubChem CID134604392
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cn2)cn1
InChIInChI=1S/C21H22N4O5S/c1-13-3-4-15(9-22-13)20-18(14(2)30-25-20)11-29-19-6-5-16(10-23-19)21(26)24-17-7-8-31(27,28)12-17/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyZDWVXHPNJXPYJD-KRWDZBQOSA-N
XLogP2.24
TPSA124.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
CID 134588252
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629333
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619
6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 42630774
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
CID 134590430
N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604565
N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139529922
N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588347
N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139546813
N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588497
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588264

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (CID 134604392) is N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cn2)cn1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The InChIKey is ZDWVXHPNJXPYJD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-13-3-4-15(9-22-13)20-18(14(2)30-25-20)11-29-19-6-5-16(10-23-19)21(26)24-17-7-8-31(27,28)12-17/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 134604392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).