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

C22H18F3N3O2 — CID 51939972

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

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

N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 51939972) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID51939972
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC NameN-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3N3O2/c1-14(15-5-2-8-18(11-15)22(23,24)25)27-20(29)16-6-3-9-19(12-16)28-21(30)17-7-4-10-26-13-17/h2-14H,1H3,(H,27,29)(H,28,30)/t14-/m0/s1
InChIKeyIHIKNHAICQMQFV-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-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46411199
N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633487
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112763933
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
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-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 51939972) is N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is IHIKNHAICQMQFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-14(15-5-2-8-18(11-15)22(23,24)25)27-20(29)16-6-3-9-19(12-16)28-21(30)17-7-4-10-26-13-17/h2-14H,1H3,(H,27,29)(H,28,30)/t14-/m0/s1.
What are the key properties of N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(1S)-1-[3-(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-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51939972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).