2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C21H17N5O2S — CID 121407784

IUPAC2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(OCc2ccccc2)ccc1C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C21H17N5O2S/c1-14-17(7-8-18(23-14)28-13-15-5-3-2-4-6-15)19(27)24-21-26-25-20(29-21)16-9-11-22-12-10-16/h2-12H,13H2,1H3,(H,24,26,27)
InChIKeyWBOTWSZCCILOQN-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.13
Rot. Bonds6

About 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407784) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID121407784
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(OCc2ccccc2)ccc1C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C21H17N5O2S/c1-14-17(7-8-18(23-14)28-13-15-5-3-2-4-6-15)19(27)24-21-26-25-20(29-21)16-9-11-22-12-10-16/h2-12H,13H2,1H3,(H,24,26,27)
InChIKeyWBOTWSZCCILOQN-UHFFFAOYSA-N
XLogP4.13
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 860547
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide
CID 2378817
4-[[5-[(5-Benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 46851466
2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2114513
2-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2442210
2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982615
US10130619, Example 168
CID 121407609
US10130619, Example 103
CID 121407692
US10130619, Example 187
CID 121407715
US11306081, Example 092
CID 142516336
US11306081, Example 097
CID 156361594
US11306081, Example 090
CID 156361595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407784) is 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1nc(OCc2ccccc2)ccc1C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WBOTWSZCCILOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-14-17(7-8-18(23-14)28-13-15-5-3-2-4-6-15)19(27)24-21-26-25-20(29-21)16-9-11-22-12-10-16/h2-12H,13H2,1H3,(H,24,26,27).
What are the key properties of 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylmethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).