N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide

C25H23ClN4O2 — CID 55451475

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C
InChIInChI=1S/C25H23ClN4O2/c1-16(2)30(15-23-28-29-24(32-23)20-11-7-8-12-21(20)26)25(31)19-13-14-22(27-17(19)3)18-9-5-4-6-10-18/h4-14,16H,15H2,1-3H3
InChIKeyMHGSNSUJNZDACX-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.81
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 55451475) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID55451475
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C
InChIInChI=1S/C25H23ClN4O2/c1-16(2)30(15-23-28-29-24(32-23)20-11-7-8-12-21(20)26)25(31)19-13-14-22(27-17(19)3)18-9-5-4-6-10-18/h4-14,16H,15H2,1-3H3
InChIKeyMHGSNSUJNZDACX-UHFFFAOYSA-N
XLogP5.81
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide
CID 55332799
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 51240926
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129
5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide
CID 112794809
3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 55630767
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 16563213
4-benzylsulfanyl-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 112844814
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-phenoxyethoxy)-N-propan-2-ylacetamide
CID 55758153
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-fluoro-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 16558736
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16560838
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(1,3-dithiolan-2-yl)-N-propan-2-ylbenzamide
CID 112794811
2-(4-chloro-2-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 112794827

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide (CID 55451475) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MHGSNSUJNZDACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16(2)30(15-23-28-29-24(32-23)20-11-7-8-12-21(20)26)25(31)19-13-14-22(27-17(19)3)18-9-5-4-6-10-18/h4-14,16H,15H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 55451475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).