4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

C16H16N6O3S — CID 166163152

IUPAC4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cc(N)ncc2OC)s1
InChIInChI=1S/C16H16N6O3S/c1-8-4-9(10-5-13(17)19-7-12(10)24-2)11(6-18-8)14(23)20-15-21-22-16(25-3)26-15/h4-7H,1-3H3,(H2,17,19)(H,20,21,23)
InChIKeyJRJHQXPQRLQIPB-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.16
Rot. Bonds5

About 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 166163152) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID166163152
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cc(N)ncc2OC)s1
InChIInChI=1S/C16H16N6O3S/c1-8-4-9(10-5-13(17)19-7-12(10)24-2)11(6-18-8)14(23)20-15-21-22-16(25-3)26-15/h4-7H,1-3H3,(H2,17,19)(H,20,21,23)
InChIKeyJRJHQXPQRLQIPB-UHFFFAOYSA-N
XLogP2.16
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2-acetyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163081
4-(2-cyclopropyl-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163160
4-(3,5-dimethylphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162955
N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 163391306
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 166163203
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 163390637
4-[5-chloro-2-methoxy-4-[(R)-methylsulfinyl]phenyl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163105
N-[5-[4-(hydroxymethyl)cyclohexyl]oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 166163481
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
CID 166163327
N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
CID 166162988
4-(3-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163397
4-(6-cyano-4-methyl-3-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163220

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (CID 166163152) is 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is COc1nnc(NC(=O)c2cnc(C)cc2-c2cc(N)ncc2OC)s1.
What is the InChIKey of 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is JRJHQXPQRLQIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-8-4-9(10-5-13(17)19-7-12(10)24-2)11(6-18-8)14(23)20-15-21-22-16(25-3)26-15/h4-7H,1-3H3,(H2,17,19)(H,20,21,23).
What are the key properties of 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 166163152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).