5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide

C17H15ClN4O3S — CID 51052837

IUPAC5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)s1
InChIInChI=1S/C17H15ClN4O3S/c1-10-20-21-17(26-10)19-16(24)13-7-14(23)15(8-22(13)2)25-9-11-5-3-4-6-12(11)18/h3-8H,9H2,1-2H3,(H,19,21,24)
InChIKeyPELVRPIZHGYPTA-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.03
Rot. Bonds5

About 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide

5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide (PubChem CID 51052837) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
PubChem CID51052837
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)s1
InChIInChI=1S/C17H15ClN4O3S/c1-10-20-21-17(26-10)19-16(24)13-7-14(23)15(8-22(13)2)25-9-11-5-3-4-6-12(11)18/h3-8H,9H2,1-2H3,(H,19,21,24)
InChIKeyPELVRPIZHGYPTA-UHFFFAOYSA-N
XLogP3.03
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)-1-methyl-4-oxopyridine-2-carboxamide
CID 51052544
4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8814346
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
CID 52899896
N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30859011
5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42227129
2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47738998
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide
CID 166597292
methyl 2-[[5-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 100720072
3-[(2-chlorophenyl)methoxy]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100603324
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
CID 39024155

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide (CID 51052837) is 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide is Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)s1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide?
The InChIKey is PELVRPIZHGYPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-10-20-21-17(26-10)19-16(24)13-7-14(23)15(8-22(13)2)25-9-11-5-3-4-6-12(11)18/h3-8H,9H2,1-2H3,(H,19,21,24).
What are the key properties of 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide?
5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 51052837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).