N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide

C16H14N4O2S — CID 166163327

IUPACN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2)s1
InChIInChI=1S/C16H14N4O2S/c1-10-8-12(11-6-4-3-5-7-11)13(9-17-10)14(21)18-15-19-20-16(22-2)23-15/h3-9H,1-2H3,(H,18,19,21)
InChIKeyIBEPPMOYSQNGHK-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds4

About N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide

N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide (PubChem CID 166163327) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
PubChem CID166163327
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2)s1
InChIInChI=1S/C16H14N4O2S/c1-10-8-12(11-6-4-3-5-7-11)13(9-17-10)14(21)18-15-19-20-16(22-2)23-15/h3-9H,1-2H3,(H,18,19,21)
InChIKeyIBEPPMOYSQNGHK-UHFFFAOYSA-N
XLogP3.17
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162955
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinolin-3-ylpyridine-3-carboxamide
CID 166163457
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 166163091
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 166163058
4-(3-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163397
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide
CID 166162977
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163114
4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163398
4-(6-cyano-4-methyl-3-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163220
4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163152
4-(2-acetyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163081
4-(2-chloro-5-ethyl-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162898

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide (CID 166163327) is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide is COc1nnc(NC(=O)c2cnc(C)cc2-c2ccccc2)s1.
What is the InChIKey of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide?
The InChIKey is IBEPPMOYSQNGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10-8-12(11-6-4-3-5-7-11)13(9-17-10)14(21)18-15-19-20-16(22-2)23-15/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide?
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 166163327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).