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

C21H17ClF3N5O2 — CID 71042900

IUPAC4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1noc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c(Cl)c2)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-12-27-19(32-29-12)14-10-17(22)18(26-11-14)13-6-8-30(9-7-13)20(31)28-16-4-2-15(3-5-16)21(23,24)25/h2-6,10-11H,7-9H2,1H3,(H,28,31)
InChIKeyUJYHLYQQLQFEMD-UHFFFAOYSA-N
MW463.85 g/mol
LogP5.43
Rot. Bonds3

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

4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71042900) has the molecular formula C21H17ClF3N5O2 and a molecular weight of 463.85 g/mol. Its IUPAC name is 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71042900
Molecular FormulaC21H17ClF3N5O2
Molecular Weight463.85 g/mol
Exact Mass463.10
IUPAC Name4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1noc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c(Cl)c2)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-12-27-19(32-29-12)14-10-17(22)18(26-11-14)13-6-8-30(9-7-13)20(31)28-16-4-2-15(3-5-16)21(23,24)25/h2-6,10-11H,7-9H2,1H3,(H,28,31)
InChIKeyUJYHLYQQLQFEMD-UHFFFAOYSA-N
XLogP5.43
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.85
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
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Egfr-IN-8
CID 139035057
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
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N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 134146405
4-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)benzamide
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4-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzamide
CID 134157865
N-[3-chloro-4-[5-[3-[[4-(cyclopentanecarbonylamino)-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155532691
N-[4-[5-[3-[[4-acetamido-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]pyridine-3-carboxamide
CID 155569459
5-oxo-1-(pyridin-3-ylmethyl)-N-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidine-3-carboxamide
CID 165117348
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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71042900) is 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1noc(-c2cnc(C3=CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c(Cl)c2)n1.
What is the InChIKey of 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UJYHLYQQLQFEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2/c1-12-27-19(32-29-12)14-10-17(22)18(26-11-14)13-6-8-30(9-7-13)20(31)28-16-4-2-15(3-5-16)21(23,24)25/h2-6,10-11H,7-9H2,1H3,(H,28,31).
What are the key properties of 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 463.85 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71042900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).