N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C22H19ClF3N5O3 — CID 71015568

IUPACN-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(-c2nnc(CO)o2)cnc1C1=CCN(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C22H19ClF3N5O3/c1-12-8-14(20-30-29-18(11-32)34-20)10-27-19(12)13-4-6-31(7-5-13)21(33)28-15-2-3-16(17(23)9-15)22(24,25)26/h2-4,8-10,32H,5-7,11H2,1H3,(H,28,33)
InChIKeyKZOHHHOHXRKBKY-UHFFFAOYSA-N
MW493.87 g/mol
LogP4.93
Rot. Bonds4

About N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71015568) has the molecular formula C22H19ClF3N5O3 and a molecular weight of 493.87 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71015568
Molecular FormulaC22H19ClF3N5O3
Molecular Weight493.87 g/mol
Exact Mass493.11
IUPAC NameN-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(-c2nnc(CO)o2)cnc1C1=CCN(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C22H19ClF3N5O3/c1-12-8-14(20-30-29-18(11-32)34-20)10-27-19(12)13-4-6-31(7-5-13)21(33)28-15-2-3-16(17(23)9-15)22(24,25)26/h2-4,8-10,32H,5-7,11H2,1H3,(H,28,33)
InChIKeyKZOHHHOHXRKBKY-UHFFFAOYSA-N
XLogP4.93
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.87
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380903
4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 158097435
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-[3-chloro-5-(2-hydroxyethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane
CID 144813754
4-[3-chloro-5-[2,3-dihydrofuran-2-yl(hydroxy)methyl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042675
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-N-[4-(1,1-difluoroethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 160703448
1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90380907
4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123629363
4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162544817
[2-[5-chloro-6-[1-[1-[3-chloro-4-(1,1-difluoropropyl)anilino]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
CID 131969584
(E)-3-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)but-2-enamide
CID 90380906
N-(1-aminoethylidene)-5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 123326882

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71015568) is N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cc(-c2nnc(CO)o2)cnc1C1=CCN(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)CC1.
What is the InChIKey of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is KZOHHHOHXRKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N5O3/c1-12-8-14(20-30-29-18(11-32)34-20)10-27-19(12)13-4-6-31(7-5-13)21(33)28-15-2-3-16(17(23)9-15)22(24,25)26/h2-4,8-10,32H,5-7,11H2,1H3,(H,28,33).
What are the key properties of N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 493.87 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71015568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).