N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide

C23H24FN5O2S — CID 90209896

IUPACN-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)c4nccs4)CC3)c2C)cn1
InChIInChI=1S/C23H24FN5O2S/c1-15-3-4-17(13-26-15)21(30)27-20-12-19(24)11-18(16(20)2)14-28-6-8-29(9-7-28)23(31)22-25-5-10-32-22/h3-5,10-13H,6-9,14H2,1-2H3,(H,27,30)
InChIKeyRCMMMZKRIPZBBY-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.50
Rot. Bonds5

About N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide

N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 90209896) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
PubChem CID90209896
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC NameN-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)c4nccs4)CC3)c2C)cn1
InChIInChI=1S/C23H24FN5O2S/c1-15-3-4-17(13-26-15)21(30)27-20-12-19(24)11-18(16(20)2)14-28-6-8-29(9-7-28)23(31)22-25-5-10-32-22/h3-5,10-13H,6-9,14H2,1-2H3,(H,27,30)
InChIKeyRCMMMZKRIPZBBY-UHFFFAOYSA-N
XLogP3.50
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-fluoro-3-[[4-[3-(fluoromethyl)cyclobutanecarbonyl]piperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 126712113
N-[3-[[(3S)-4-benzoyl-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 90204353
N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 90205340
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 130451217
N-[3-[(4-benzoylpiperazin-1-yl)methyl]-5-fluoro-2-methylphenyl]-3-cyanobenzamide
CID 126712279
3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 16782205
4-[[2,5-difluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylic acid
CID 68551238
3-cyano-N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluorobenzamide
CID 126712151
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
N-[5-chloro-2-methyl-3-[[(3S)-3-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 118550238
(2S)-4-[[5-chloro-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-N-(cyclopropylmethyl)-2-methylpiperazine-1-carboxamide
CID 118542405

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide (CID 90209896) is N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)c4nccs4)CC3)c2C)cn1.
What is the InChIKey of N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is RCMMMZKRIPZBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-15-3-4-17(13-26-15)21(30)27-20-12-19(24)11-18(16(20)2)14-28-6-8-29(9-7-28)23(31)22-25-5-10-32-22/h3-5,10-13H,6-9,14H2,1-2H3,(H,27,30).
What are the key properties of N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-3-[[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 90209896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).