N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide

C20H18F3N7O — CID 139308555

IUPACN-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide
SMILESC/N=C(/C=C(\C)c1cn(CC(=O)Nc2ccc(-c3cncnc3)cn2)cn1)C(F)(F)F
InChIInChI=1S/C20H18F3N7O/c1-13(5-17(24-2)20(21,22)23)16-9-30(12-28-16)10-19(31)29-18-4-3-14(8-27-18)15-6-25-11-26-7-15/h3-9,11-12H,10H2,1-2H3,(H,27,29,31)/b13-5+,24-17-
InChIKeyFKTYTTFEMWFWNS-KNNSSMFISA-N
MW429.41 g/mol
LogP3.41
Rot. Bonds6

About N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide

N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide (PubChem CID 139308555) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide
PubChem CID139308555
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC NameN-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide
SMILESC/N=C(/C=C(\C)c1cn(CC(=O)Nc2ccc(-c3cncnc3)cn2)cn1)C(F)(F)F
InChIInChI=1S/C20H18F3N7O/c1-13(5-17(24-2)20(21,22)23)16-9-30(12-28-16)10-19(31)29-18-4-3-14(8-27-18)15-6-25-11-26-7-15/h3-9,11-12H,10H2,1-2H3,(H,27,29,31)/b13-5+,24-17-
InChIKeyFKTYTTFEMWFWNS-KNNSSMFISA-N
XLogP3.41
TPSA97.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-methyl-4-[(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-3-yl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 130468714
2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 161366452
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 140941281
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
1-[2-(2-methylanilino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717030
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55951935
N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 167075223
ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
CID 145105834
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 118174168
4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 72568758
1-(3,3-difluorobutyl)-N-(4-methylphenyl)sulfonylimidazole-4-carboxamide;ethane
CID 142342430

Frequently Asked Questions

What is the IUPAC name of N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide?
The IUPAC name of N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide (CID 139308555) is N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide is C/N=C(/C=C(\C)c1cn(CC(=O)Nc2ccc(-c3cncnc3)cn2)cn1)C(F)(F)F.
What is the InChIKey of N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide?
The InChIKey is FKTYTTFEMWFWNS-KNNSSMFISA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-13(5-17(24-2)20(21,22)23)16-9-30(12-28-16)10-19(31)29-18-4-3-14(8-27-18)15-6-25-11-26-7-15/h3-9,11-12H,10H2,1-2H3,(H,27,29,31)/b13-5+,24-17-.
What are the key properties of N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide?
N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide has a molecular weight of 429.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 139308555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).