N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide

C23H21N5O4S — CID 170550705

IUPACN-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ncccc2CO)s1
InChIInChI=1S/C23H21N5O4S/c1-14-10-17(16-7-3-4-8-20(16)31-2)18(11-25-14)21(30)26-22-27-28-23(33-22)32-13-19-15(12-29)6-5-9-24-19/h3-11,29H,12-13H2,1-2H3,(H,26,27,30)
InChIKeyUEDRDINWAVZMLZ-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.64
Rot. Bonds8

About N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide

N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 170550705) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID170550705
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ncccc2CO)s1
InChIInChI=1S/C23H21N5O4S/c1-14-10-17(16-7-3-4-8-20(16)31-2)18(11-25-14)21(30)26-22-27-28-23(33-22)32-13-19-15(12-29)6-5-9-24-19/h3-11,29H,12-13H2,1-2H3,(H,26,27,30)
InChIKeyUEDRDINWAVZMLZ-UHFFFAOYSA-N
XLogP3.64
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[[5-(1-cyanocyclopropyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 155342518
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
CID 166163327
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 155353814
N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide
CID 155353663
4-[2-(difluoromethoxy)phenyl]-N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 163391000
3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 155733083
N-[5-[[2-(hydroxymethyl)-4,5-dimethyl-4H-azepin-6-yl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxy-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 163391096
4-(5-chloro-2-methoxyphenyl)-6-methyl-N-[5-[[4-(methylsulfonimidoyl)phenyl]methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 170550583
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-amino-5-methoxy-4-pyridinyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163152
4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[[4-(methylsulfonimidoyl)phenyl]methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 167102223
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 170550705) is N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ncccc2CO)s1.
What is the InChIKey of N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is UEDRDINWAVZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-14-10-17(16-7-3-4-8-20(16)31-2)18(11-25-14)21(30)26-22-27-28-23(33-22)32-13-19-15(12-29)6-5-9-24-19/h3-11,29H,12-13H2,1-2H3,(H,26,27,30).
What are the key properties of N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 170550705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).