N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide

C21H21F3N2O3 — CID 160918694

IUPACN-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(C(F)(F)F)ccc1OCCCC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H21F3N2O3/c1-13-11-16(21(22,23)24)6-7-18(13)29-10-2-3-17(27)15-8-9-25-19(12-15)26-20(28)14-4-5-14/h6-9,11-12,14H,2-5,10H2,1H3,(H,25,26,28)
InChIKeySRSYZTXKDSOSFM-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.80
Rot. Bonds8

About N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 160918694) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID160918694
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC NameN-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(C(F)(F)F)ccc1OCCCC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H21F3N2O3/c1-13-11-16(21(22,23)24)6-7-18(13)29-10-2-3-17(27)15-8-9-25-19(12-15)26-20(28)14-4-5-14/h6-9,11-12,14H,2-5,10H2,1H3,(H,25,26,28)
InChIKeySRSYZTXKDSOSFM-UHFFFAOYSA-N
XLogP4.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]propanamide
CID 159177897
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 155408184
2-(2-methylpropanoylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide
CID 142503801
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide
CID 158943598
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide
CID 159112779
3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 70897245
N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 142503787
N-[4-[N'-[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamimidoyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155416899
N-[4-[4-[3-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-oxopropyl]-2-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 146772421
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyrimidine-4-carboxamide
CID 137368052

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide (CID 160918694) is N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1cc(C(F)(F)F)ccc1OCCCC(=O)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is SRSYZTXKDSOSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-13-11-16(21(22,23)24)6-7-18(13)29-10-2-3-17(27)15-8-9-25-19(12-15)26-20(28)14-4-5-14/h6-9,11-12,14H,2-5,10H2,1H3,(H,25,26,28).
What are the key properties of N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 406.40 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 160918694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).