N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C20H21N3O3S — CID 17479318

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)c(=O)[nH]1
InChIInChI=1S/C20H21N3O3S/c1-12-8-13(2)22-20(25)18(12)9-21-19(24)15-4-6-17(7-5-15)26-10-16-11-27-14(3)23-16/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGNNBDHBGMRBHEU-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.27
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 17479318) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID17479318
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)c(=O)[nH]1
InChIInChI=1S/C20H21N3O3S/c1-12-8-13(2)22-20(25)18(12)9-21-19(24)15-4-6-17(7-5-15)26-10-16-11-27-14(3)23-16/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGNNBDHBGMRBHEU-UHFFFAOYSA-N
XLogP3.27
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38970613
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
N-(5-tert-butyl-2-hydroxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 29265468
N-(1-methylpyrazol-3-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 16622072
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9470615
N-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 17479318) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1cc(C)c(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is GNNBDHBGMRBHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12-8-13(2)22-20(25)18(12)9-21-19(24)15-4-6-17(7-5-15)26-10-16-11-27-14(3)23-16/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 17479318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).