N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C80H68F6N10O7 — CID 159636478

IUPACN-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESC#Cc1ccc(NC(=O)Cc2cccc(C)c2)nc1.Cc1cccc(CC(=O)Nc2ccc(C#CC#Cc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nc3)cn2)c1.Cc1cccc(CC(=O)Nc2ccc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nc3)cn2)c1
InChIInChI=1S/C32H31F3N4O3.C32H23F3N4O3.C16H14N2O/c2*1-22-6-4-9-25(16-22)18-30(40)38-28-14-12-23(20-36-28)7-2-3-8-24-13-15-29(37-21-24)39-31(41)19-26-10-5-11-27(17-26)42-32(33,34)35;1-3-13-7-8-15(17-11-13)18-16(19)10-14-6-4-5-12(2)9-14/h4-6,9-17,20-21H,2-3,7-8,18-19H2,1H3,(H,36,38,40)(H,37,39,41);4-6,9-17,20-21H,18-19H2,1H3,(H,36,38,40)(H,37,39,41);1,4-9,11H,10H2,2H3,(H,17,18,19)
InChIKeyMPUSPXNUXBQTBK-UHFFFAOYSA-N
MW1395.47 g/mol
LogP14.61
Rot. Bonds22

About N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 159636478) has the molecular formula C80H68F6N10O7 and a molecular weight of 1395.47 g/mol. Its IUPAC name is N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID159636478
Molecular FormulaC80H68F6N10O7
Molecular Weight1395.47 g/mol
Exact Mass1394.52
IUPAC NameN-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESC#Cc1ccc(NC(=O)Cc2cccc(C)c2)nc1.Cc1cccc(CC(=O)Nc2ccc(C#CC#Cc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nc3)cn2)c1.Cc1cccc(CC(=O)Nc2ccc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nc3)cn2)c1
InChIInChI=1S/C32H31F3N4O3.C32H23F3N4O3.C16H14N2O/c2*1-22-6-4-9-25(16-22)18-30(40)38-28-14-12-23(20-36-28)7-2-3-8-24-13-15-29(37-21-24)39-31(41)19-26-10-5-11-27(17-26)42-32(33,34)35;1-3-13-7-8-15(17-11-13)18-16(19)10-14-6-4-5-12(2)9-14/h4-6,9-17,20-21H,2-3,7-8,18-19H2,1H3,(H,36,38,40)(H,37,39,41);4-6,9-17,20-21H,18-19H2,1H3,(H,36,38,40)(H,37,39,41);1,4-9,11H,10H2,2H3,(H,17,18,19)
InChIKeyMPUSPXNUXBQTBK-UHFFFAOYSA-N
XLogP14.61
TPSA228.41 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.47
LogP ≤ 514.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-(3-phenoxyphenyl)ethanone
CID 119098999
2-(3-Methoxyphenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099035
2-(3-methoxyphenyl)-N-[5-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]acetamide
CID 172462718
2-(3-methoxyphenyl)-N-[5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]acetamide
CID 172447388
2-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155426
4-fluoro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155428
2-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155431
N-(5-ethynylpyridin-2-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118211274
2-[3-(trifluoromethoxy)phenyl]-N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridin-3-yl]butyl]pyridin-2-yl]acetamide
CID 118218173
N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 122607392
N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 122607395
2-[3-(trifluoromethoxy)phenyl]-N-[5-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridin-3-yl]buta-1,3-diynyl]pyridin-2-yl]acetamide
CID 122607404

Frequently Asked Questions

What is the IUPAC name of N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 159636478) is N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is C#Cc1ccc(NC(=O)Cc2cccc(C)c2)nc1.Cc1cccc(CC(=O)Nc2ccc(C#CC#Cc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nc3)cn2)c1.Cc1cccc(CC(=O)Nc2ccc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nc3)cn2)c1.
What is the InChIKey of N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MPUSPXNUXBQTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N4O3.C32H23F3N4O3.C16H14N2O/c2*1-22-6-4-9-25(16-22)18-30(40)38-28-14-12-23(20-36-28)7-2-3-8-24-13-15-29(37-21-24)39-31(41)19-26-10-5-11-27(17-26)42-32(33,34)35;1-3-13-7-8-15(17-11-13)18-16(19)10-14-6-4-5-12(2)9-14/h4-6,9-17,20-21H,2-3,7-8,18-19H2,1H3,(H,36,38,40)(H,37,39,41);4-6,9-17,20-21H,18-19H2,1H3,(H,36,38,40)(H,37,39,41);1,4-9,11H,10H2,2H3,(H,17,18,19).
What are the key properties of N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 1395.47 g/mol, XLogP of 14.61, 22 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethynyl-2-pyridinyl)-2-(3-methylphenyl)acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]buta-1,3-diynyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[5-[4-[6-[[2-(3-methylphenyl)acetyl]amino]-3-pyridinyl]butyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 159636478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).