N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide

C23H20F3N3O3 — CID 155316043

IUPACN-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(c3ccc(-c4cnc(OC(F)(F)F)cc4N)cc3)CC2)cc1
InChIInChI=1S/C23H20F3N3O3/c1-31-17-8-4-15(5-9-17)21(30)29-22(10-11-22)16-6-2-14(3-7-16)18-13-28-20(12-19(18)27)32-23(24,25)26/h2-9,12-13H,10-11H2,1H3,(H2,27,28)(H,29,30)
InChIKeyPSQZRTRUEUGHQA-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.66
Rot. Bonds6

About N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide

N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide (PubChem CID 155316043) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide
PubChem CID155316043
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC NameN-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(c3ccc(-c4cnc(OC(F)(F)F)cc4N)cc3)CC2)cc1
InChIInChI=1S/C23H20F3N3O3/c1-31-17-8-4-15(5-9-17)21(30)29-22(10-11-22)16-6-2-14(3-7-16)18-13-28-20(12-19(18)27)32-23(24,25)26/h2-9,12-13H,10-11H2,1H3,(H2,27,28)(H,29,30)
InChIKeyPSQZRTRUEUGHQA-UHFFFAOYSA-N
XLogP4.66
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide
CID 155315729
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide
CID 155315970
4-ethynyl-N-[1-[4-[2-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]benzamide
CID 155317109
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396
N-[1-[4-[3-amino-5-(difluoromethyl)-2-pyridinyl]phenyl]cyclopropyl]-4-fluorobenzamide
CID 155316108
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163
5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685365
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 139007597
4-(tert-butylsulfamoyl)-N-[1-(4-methoxyphenyl)cyclopentyl]benzamide
CID 60618187
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide?
The IUPAC name of N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide (CID 155316043) is N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide is COc1ccc(C(=O)NC2(c3ccc(-c4cnc(OC(F)(F)F)cc4N)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide?
The InChIKey is PSQZRTRUEUGHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-31-17-8-4-15(5-9-17)21(30)29-22(10-11-22)16-6-2-14(3-7-16)18-13-28-20(12-19(18)27)32-23(24,25)26/h2-9,12-13H,10-11H2,1H3,(H2,27,28)(H,29,30).
What are the key properties of N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide?
N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide has a molecular weight of 443.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide is sourced from PubChem (CID 155316043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).