N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide

C22H21F3N6O — CID 167075223

IUPACN-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
SMILESC/C=C(\N=C\CC)c1ccc(NC(=O)Cn2cnc(-c3ccnc(C(F)(F)F)c3)c2)cn1
InChIInChI=1S/C22H21F3N6O/c1-3-8-26-17(4-2)18-6-5-16(11-28-18)30-21(32)13-31-12-19(29-14-31)15-7-9-27-20(10-15)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,30,32)/b17-4-,26-8+
InChIKeyCBZIKCYUKHQKLT-RCVVVGBWSA-N
MW442.45 g/mol
LogP4.84
Rot. Bonds7

About N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide

N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide (PubChem CID 167075223) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
PubChem CID167075223
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC NameN-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
SMILESC/C=C(\N=C\CC)c1ccc(NC(=O)Cn2cnc(-c3ccnc(C(F)(F)F)c3)c2)cn1
InChIInChI=1S/C22H21F3N6O/c1-3-8-26-17(4-2)18-6-5-16(11-28-18)30-21(32)13-31-12-19(29-14-31)15-7-9-27-20(10-15)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,30,32)/b17-4-,26-8+
InChIKeyCBZIKCYUKHQKLT-RCVVVGBWSA-N
XLogP4.84
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-pyrimidin-2-yl-2-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
CID 161194344
1-(6-pyrazin-2-yl-3-pyridinyl)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]propan-2-one
CID 160540813
N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine
CID 141442757
N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337884
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
CID 113427832
2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-[5-[(E)-hept-3-en-4-yl]-2-pyridinyl]acetamide
CID 167075120
2-[4-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-pyrazin-2-yl-4H-azepin-7-yl)acetamide
CID 139308659
N-[5-[(Z)-2-amino-1-(methylamino)ethenyl]-3-methyl-2-pyridinyl]-2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
CID 167075155
4-(1-deuterioimidazol-4-yl)-2-(trifluoromethyl)pyridine
CID 175891499
4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 82810971
5-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazine-2-carboxamide
CID 177050534
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide?
The IUPAC name of N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide (CID 167075223) is N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide is C/C=C(\N=C\CC)c1ccc(NC(=O)Cn2cnc(-c3ccnc(C(F)(F)F)c3)c2)cn1.
What is the InChIKey of N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide?
The InChIKey is CBZIKCYUKHQKLT-RCVVVGBWSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-3-8-26-17(4-2)18-6-5-16(11-28-18)30-21(32)13-31-12-19(29-14-31)15-7-9-27-20(10-15)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,30,32)/b17-4-,26-8+.
What are the key properties of N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide?
N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide has a molecular weight of 442.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-1-(propylideneamino)prop-1-enyl]-3-pyridinyl]-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 167075223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).