N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide

C24H24N6O3S — CID 170550678

IUPACN-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(C)ncc2C(=O)Nc2nnc(OCc3ccc(C(C)(C)O)cn3)s2)ccn1
InChIInChI=1S/C24H24N6O3S/c1-14-9-16(7-8-25-14)19-10-15(2)26-12-20(19)21(31)28-22-29-30-23(34-22)33-13-18-6-5-17(11-27-18)24(3,4)32/h5-12,32H,13H2,1-4H3,(H,28,29,31)
InChIKeyXWPUQWLIXWUWCQ-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.07
Rot. Bonds7

About N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide

N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 170550678) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID170550678
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cc(C)ncc2C(=O)Nc2nnc(OCc3ccc(C(C)(C)O)cn3)s2)ccn1
InChIInChI=1S/C24H24N6O3S/c1-14-9-16(7-8-25-14)19-10-15(2)26-12-20(19)21(31)28-22-29-30-23(34-22)33-13-18-6-5-17(11-27-18)24(3,4)32/h5-12,32H,13H2,1-4H3,(H,28,29,31)
InChIKeyXWPUQWLIXWUWCQ-UHFFFAOYSA-N
XLogP4.07
TPSA123.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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
6-methyl-4-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 163390648
4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 163391275
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
CID 166163327
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 166163058
4-(3-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166163397
4-(3,5-dimethylphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 166162955
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-[[5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 170550742
4-(2-chloro-4-pyridinyl)-N-[5-[[5-(1-hydroxyethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-methylpyridine-3-carboxamide
CID 175489306
N-[5-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 170550705
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-quinazolin-6-ylpyridine-3-carboxamide
CID 166162977

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide (CID 170550678) is N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide is Cc1cc(-c2cc(C)ncc2C(=O)Nc2nnc(OCc3ccc(C(C)(C)O)cn3)s2)ccn1.
What is the InChIKey of N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is XWPUQWLIXWUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-14-9-16(7-8-25-14)19-10-15(2)26-12-20(19)21(31)28-22-29-30-23(34-22)33-13-18-6-5-17(11-27-18)24(3,4)32/h5-12,32H,13H2,1-4H3,(H,28,29,31).
What are the key properties of N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 170550678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).