N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide

C16H20N4O3S — CID 167809370

IUPACN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc(=O)[nH]cc1C(=O)Nc1nnc(CC2CCCCC2)s1
InChIInChI=1S/C16H20N4O3S/c1-23-12-8-13(21)17-9-11(12)15(22)18-16-20-19-14(24-16)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3,(H,17,21)(H,18,20,22)
InChIKeySKWQILRMQCRNPY-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.61
Rot. Bonds5

About N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide

N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 167809370) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide
PubChem CID167809370
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc(=O)[nH]cc1C(=O)Nc1nnc(CC2CCCCC2)s1
InChIInChI=1S/C16H20N4O3S/c1-23-12-8-13(21)17-9-11(12)15(22)18-16-20-19-14(24-16)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3,(H,17,21)(H,18,20,22)
InChIKeySKWQILRMQCRNPY-UHFFFAOYSA-N
XLogP2.61
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 13234330
2-[[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid
CID 174636227
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
4-methoxy-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 138051826
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
CID 55792414
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methoxy-1H-pyridin-2-one
CID 154784378
6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 43831767
4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3974438
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide;ethane;ethylcyclopentane
CID 163391414

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide (CID 167809370) is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide is COc1cc(=O)[nH]cc1C(=O)Nc1nnc(CC2CCCCC2)s1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SKWQILRMQCRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-23-12-8-13(21)17-9-11(12)15(22)18-16-20-19-14(24-16)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide?
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167809370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).