5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide

C22H18FN5OS — CID 70978639

IUPAC5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1nsc(-c2ccc(C)c(-c3ccc(NC(=O)c4cncc(F)c4C)nc3)c2)n1
InChIInChI=1S/C22H18FN5OS/c1-12-4-5-15(22-26-14(3)28-30-22)8-17(12)16-6-7-20(25-9-16)27-21(29)18-10-24-11-19(23)13(18)2/h4-11H,1-3H3,(H,25,27,29)
InChIKeyPLTPUEIEUVSOIS-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.98
Rot. Bonds4

About 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 70978639) has the molecular formula C22H18FN5OS and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID70978639
Molecular FormulaC22H18FN5OS
Molecular Weight419.49 g/mol
Exact Mass419.12
IUPAC Name5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1nsc(-c2ccc(C)c(-c3ccc(NC(=O)c4cncc(F)c4C)nc3)c2)n1
InChIInChI=1S/C22H18FN5OS/c1-12-4-5-15(22-26-14(3)28-30-22)8-17(12)16-6-7-20(25-9-16)27-21(29)18-10-24-11-19(23)13(18)2/h4-11H,1-3H3,(H,25,27,29)
InChIKeyPLTPUEIEUVSOIS-UHFFFAOYSA-N
XLogP4.98
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 90224957
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CID 58487162
N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 71010081
N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 90227249
5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 89184688
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978582
5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 70979506
4-methyl-N-[5-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
CID 71010177
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70979502
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide (CID 70978639) is 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide is Cc1nsc(-c2ccc(C)c(-c3ccc(NC(=O)c4cncc(F)c4C)nc3)c2)n1.
What is the InChIKey of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is PLTPUEIEUVSOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5OS/c1-12-4-5-15(22-26-14(3)28-30-22)8-17(12)16-6-7-20(25-9-16)27-21(29)18-10-24-11-19(23)13(18)2/h4-11H,1-3H3,(H,25,27,29).
What are the key properties of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 70978639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).