N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide

C22H18F3N3O2 — CID 51940025

IUPACN-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3N3O2/c1-14(15-7-9-18(10-8-15)22(23,24)25)27-20(29)16-4-2-6-19(12-16)28-21(30)17-5-3-11-26-13-17/h2-14H,1H3,(H,27,29)(H,28,30)/t14-/m0/s1
InChIKeyYXZFMZNVBYTTPZ-AWEZNQCLSA-N
MW413.40 g/mol
LogP4.84
Rot. Bonds5

About N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 51940025) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID51940025
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC NameN-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3N3O2/c1-14(15-7-9-18(10-8-15)22(23,24)25)27-20(29)16-4-2-6-19(12-16)28-21(30)17-5-3-11-26-13-17/h2-14H,1H3,(H,27,29)(H,28,30)/t14-/m0/s1
InChIKeyYXZFMZNVBYTTPZ-AWEZNQCLSA-N
XLogP4.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633487
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46411199
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 51940025) is N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is YXZFMZNVBYTTPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-14(15-7-9-18(10-8-15)22(23,24)25)27-20(29)16-4-2-6-19(12-16)28-21(30)17-5-3-11-26-13-17/h2-14H,1H3,(H,27,29)(H,28,30)/t14-/m0/s1.
What are the key properties of N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51940025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).