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

C21H17N5O3S — CID 155733056

IUPACN-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCc1ccc(COc2nnc(NC(=O)c3ccc(=O)[nH]c3-c3ccncc3)s2)cc1
InChIInChI=1S/C21H17N5O3S/c1-13-2-4-14(5-3-13)12-29-21-26-25-20(30-21)24-19(28)16-6-7-17(27)23-18(16)15-8-10-22-11-9-15/h2-11H,12H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyMZZMGHZHLOGSSH-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.43
Rot. Bonds6

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

N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 155733056) has the molecular formula C21H17N5O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID155733056
Molecular FormulaC21H17N5O3S
Molecular Weight419.47 g/mol
Exact Mass419.11
IUPAC NameN-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCc1ccc(COc2nnc(NC(=O)c3ccc(=O)[nH]c3-c3ccncc3)s2)cc1
InChIInChI=1S/C21H17N5O3S/c1-13-2-4-14(5-3-13)12-29-21-26-25-20(30-21)24-19(28)16-6-7-17(27)23-18(16)15-8-10-22-11-9-15/h2-11H,12H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyMZZMGHZHLOGSSH-UHFFFAOYSA-N
XLogP3.43
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 155343151
3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 155733083
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-[(3S)-3-methyl-5-oxopiperazin-1-yl]pyridine-3-carboxamide
CID 155343181
N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 175679881
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 155342307
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
CID 167930528
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-methoxy-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155342632
2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide
CID 118234198
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 155353814
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[(1R,6S,7R)-7-methyl-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]pyridine-4-carboxamide
CID 155353971
4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 163391275

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 155733056) is N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide is Cc1ccc(COc2nnc(NC(=O)c3ccc(=O)[nH]c3-c3ccncc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is MZZMGHZHLOGSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S/c1-13-2-4-14(5-3-13)12-29-21-26-25-20(30-21)24-19(28)16-6-7-17(27)23-18(16)15-8-10-22-11-9-15/h2-11H,12H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-oxo-2-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155733056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).