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

C20H16ClF3N6O2 — CID 90380957

IUPAC4-[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
SMILESCc1nnc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(F)(F)F)cn4)CC3)c(Cl)c2)o1
InChIInChI=1S/C20H16ClF3N6O2/c1-11-28-29-18(32-11)13-8-15(21)17(26-9-13)12-4-6-30(7-5-12)19(31)27-16-3-2-14(10-25-16)20(22,23)24/h2-4,8-10H,5-7H2,1H3,(H,25,27,31)
InChIKeyBBKNKBGMBBCSNY-UHFFFAOYSA-N
MW464.84 g/mol
LogP4.83
Rot. Bonds3

About 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

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 (PubChem CID 90380957) has the molecular formula C20H16ClF3N6O2 and a molecular weight of 464.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID90380957
Molecular FormulaC20H16ClF3N6O2
Molecular Weight464.84 g/mol
Exact Mass464.10
IUPAC Name4-[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
SMILESCc1nnc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(F)(F)F)cn4)CC3)c(Cl)c2)o1
InChIInChI=1S/C20H16ClF3N6O2/c1-11-28-29-18(32-11)13-8-15(21)17(26-9-13)12-4-6-30(7-5-12)19(31)27-16-3-2-14(10-25-16)20(22,23)24/h2-4,8-10H,5-7H2,1H3,(H,25,27,31)
InChIKeyBBKNKBGMBBCSNY-UHFFFAOYSA-N
XLogP4.83
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[3-chloro-5-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123689415
4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162544817
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
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
N-(1-aminoethylidene)-5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 123326882
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-[hydroxy-(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]-N-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131969643
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-N-[4-(1,1-difluoroethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 160703448
N-[5-chloro-4-(1,1-difluoropropyl)-5-methylcyclohexa-1,3-dien-1-yl]-4-[3-chloro-5-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131969610
N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 86692615
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(F)(F)F)cn4)CC3)c(Cl)c2)o1.
What is the InChIKey of 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?
The InChIKey is BBKNKBGMBBCSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N6O2/c1-11-28-29-18(32-11)13-8-15(21)17(26-9-13)12-4-6-30(7-5-12)19(31)27-16-3-2-14(10-25-16)20(22,23)24/h2-4,8-10H,5-7H2,1H3,(H,25,27,31).
What are the key properties of 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?
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 has a molecular weight of 464.84 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90380957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).