N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide

C22H18F3N3O — CID 123858527

IUPACN-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide
SMILESN[C@@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)15-8-4-7-14(11-15)19-10-9-16(17-12-18(17)26)20(27-19)28-21(29)13-5-2-1-3-6-13/h1-11,17-18H,12,26H2,(H,27,28,29)/t17-,18+/m0/s1
InChIKeyQCXJRPXICAIHEP-ZWKOTPCHSA-N
MW397.40 g/mol
LogP4.83
Rot. Bonds4

About N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide

N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide (PubChem CID 123858527) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide
PubChem CID123858527
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC NameN-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide
SMILESN[C@@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)15-8-4-7-14(11-15)19-10-9-16(17-12-18(17)26)20(27-19)28-21(29)13-5-2-1-3-6-13/h1-11,17-18H,12,26H2,(H,27,28,29)/t17-,18+/m0/s1
InChIKeyQCXJRPXICAIHEP-ZWKOTPCHSA-N
XLogP4.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58154674
2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657
6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine-4-carboxylic acid
CID 58484116
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
(9S)-N-phenyl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118968965
N-[1,1-difluoro-4-(6-methyl-2-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 143518063
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide?
The IUPAC name of N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide (CID 123858527) is N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide is N[C@@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)nc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide?
The InChIKey is QCXJRPXICAIHEP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H18F3N3O/c23-22(24,25)15-8-4-7-14(11-15)19-10-9-16(17-12-18(17)26)20(27-19)28-21(29)13-5-2-1-3-6-13/h1-11,17-18H,12,26H2,(H,27,28,29)/t17-,18+/m0/s1.
What are the key properties of N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide?
N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide has a molecular weight of 397.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 123858527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).