N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide

C23H26F3N5O2S — CID 167033717

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC=C(/C=c1/nc(C(F)(F)F)s/c1=C/C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cnc(N)c(C)c1
InChIInChI=1S/C23H26F3N5O2S/c1-5-18-16(30-22(34-18)23(24,25)26)9-13(3)17-7-6-12(2)11-31(17)21(33)20(32)29-15-8-14(4)19(27)28-10-15/h5,8-10,12,17H,3,6-7,11H2,1-2,4H3,(H2,27,28)(H,29,32)/b16-9+,18-5+/t12-,17+/m1/s1
InChIKeyAVRWQLVWOJMWNJ-IZENAETQSA-N
MW493.56 g/mol
LogP2.85
Rot. Bonds3

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 167033717) has the molecular formula C23H26F3N5O2S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID167033717
Molecular FormulaC23H26F3N5O2S
Molecular Weight493.56 g/mol
Exact Mass493.18
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC=C(/C=c1/nc(C(F)(F)F)s/c1=C/C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cnc(N)c(C)c1
InChIInChI=1S/C23H26F3N5O2S/c1-5-18-16(30-22(34-18)23(24,25)26)9-13(3)17-7-6-12(2)11-31(17)21(33)20(32)29-15-8-14(4)19(27)28-10-15/h5,8-10,12,17H,3,6-7,11H2,1-2,4H3,(H2,27,28)(H,29,32)/b16-9+,18-5+/t12-,17+/m1/s1
InChIKeyAVRWQLVWOJMWNJ-IZENAETQSA-N
XLogP2.85
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide with MolForge

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Related Compounds

2-oxo-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 117949270
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 164750419
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoacetamide
CID 169115381
N~2~-methyl-N~1~-{1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinyl}glycinamide
CID 56883883
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-[4-(difluoromethyl)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752642
N-(2,6-dimethylphenyl)-4-methylsulfanyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butanamide
CID 51361404
N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide
CID 155565443
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164751789
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide
CID 169115455
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-phenyl-4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxoacetamide
CID 169115746
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide
CID 169115803
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide
CID 169115805

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 167033717) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide is C=C(/C=c1/nc(C(F)(F)F)s/c1=C/C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cnc(N)c(C)c1.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is AVRWQLVWOJMWNJ-IZENAETQSA-N. The full InChI is InChI=1S/C23H26F3N5O2S/c1-5-18-16(30-22(34-18)23(24,25)26)9-13(3)17-7-6-12(2)11-31(17)21(33)20(32)29-15-8-14(4)19(27)28-10-15/h5,8-10,12,17H,3,6-7,11H2,1-2,4H3,(H2,27,28)(H,29,32)/b16-9+,18-5+/t12-,17+/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 493.56 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-(trifluoromethyl)-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167033717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).