N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide

C23H17F3N4O2 — CID 155315729

IUPACN-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide
SMILESN#Cc1cnc(-c2ccc(C3(NC(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc2)c(N)c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)32-18-7-3-16(4-8-18)21(31)30-22(9-10-22)17-5-1-15(2-6-17)20-19(28)11-14(12-27)13-29-20/h1-8,11,13H,9-10,28H2,(H,30,31)
InChIKeyTVVIAAYBYWCKFT-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.52
Rot. Bonds5

About N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide

N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide (PubChem CID 155315729) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide
PubChem CID155315729
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC NameN-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide
SMILESN#Cc1cnc(-c2ccc(C3(NC(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc2)c(N)c1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)32-18-7-3-16(4-8-18)21(31)30-22(9-10-22)17-5-1-15(2-6-17)20-19(28)11-14(12-27)13-29-20/h1-8,11,13H,9-10,28H2,(H,30,31)
InChIKeyTVVIAAYBYWCKFT-UHFFFAOYSA-N
XLogP4.52
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[4-amino-6-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]-4-methoxybenzamide
CID 155316043
N-[1-[4-(3-amino-5-methoxy-2-pyridinyl)phenyl]cyclopropyl]-4-chlorobenzamide
CID 155315970
N-[1-[4-[3-amino-5-(difluoromethyl)-2-pyridinyl]phenyl]cyclopropyl]-4-fluorobenzamide
CID 155316108
5-amino-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086771
4-ethynyl-N-[1-[4-[2-(trifluoromethoxy)-3-pyridinyl]phenyl]cyclopropyl]benzamide
CID 155317109
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
CID 137126245
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
7-(trifluoromethoxy)quinoline-3-carbonitrile
CID 143333588
4-cyano-N-[1-[4-[6-(2-fluoroethoxy)pyridazin-3-yl]phenyl]cyclobutyl]benzamide
CID 142593486
N-[5-(4-aminophenyl)-4-cyano-1-methylpyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 177250906
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide (CID 155315729) is N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide is N#Cc1cnc(-c2ccc(C3(NC(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc2)c(N)c1.
What is the InChIKey of N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is TVVIAAYBYWCKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)32-18-7-3-16(4-8-18)21(31)30-22(9-10-22)17-5-1-15(2-6-17)20-19(28)11-14(12-27)13-29-20/h1-8,11,13H,9-10,28H2,(H,30,31).
What are the key properties of N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide?
N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 438.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-amino-5-cyano-2-pyridinyl)phenyl]cyclopropyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 155315729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).