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

C22H18FN5O3S — CID 155342335

IUPACN-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ncccc2F)s1
InChIInChI=1S/C22H18FN5O3S/c1-13-10-15(14-6-3-4-8-19(14)30-2)16(11-25-13)20(29)26-21-27-28-22(32-21)31-12-18-17(23)7-5-9-24-18/h3-11H,12H2,1-2H3,(H,26,27,29)
InChIKeyJACRIXDAWCDGIP-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.28
Rot. Bonds7

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

N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 155342335) has the molecular formula C22H18FN5O3S and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID155342335
Molecular FormulaC22H18FN5O3S
Molecular Weight451.48 g/mol
Exact Mass451.11
IUPAC NameN-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ncccc2F)s1
InChIInChI=1S/C22H18FN5O3S/c1-13-10-15(14-6-3-4-8-19(14)30-2)16(11-25-13)20(29)26-21-27-28-22(32-21)31-12-18-17(23)7-5-9-24-18/h3-11H,12H2,1-2H3,(H,26,27,29)
InChIKeyJACRIXDAWCDGIP-UHFFFAOYSA-N
XLogP4.28
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 155342335) is N-[5-[(3-fluoro-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-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ncccc2F)s1.
What is the InChIKey of N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is JACRIXDAWCDGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3S/c1-13-10-15(14-6-3-4-8-19(14)30-2)16(11-25-13)20(29)26-21-27-28-22(32-21)31-12-18-17(23)7-5-9-24-18/h3-11H,12H2,1-2H3,(H,26,27,29).
What are the key properties of N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluoro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155342335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).