N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide

C20H19BrN4O3 — CID 26905518

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C20H19BrN4O3/c1-2-27-18-15(7-5-11-22-18)20(26)25(13-9-10-13)12-17-23-24-19(28-17)14-6-3-4-8-16(14)21/h3-8,11,13H,2,9-10,12H2,1H3
InChIKeyUPLZRXBGLAUHAK-UHFFFAOYSA-N
MW443.30 g/mol
LogP4.10
Rot. Bonds7

About N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide (PubChem CID 26905518) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide
PubChem CID26905518
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C20H19BrN4O3/c1-2-27-18-15(7-5-11-22-18)20(26)25(13-9-10-13)12-17-23-24-19(28-17)14-6-3-4-8-16(14)21/h3-8,11,13H,2,9-10,12H2,1H3
InChIKeyUPLZRXBGLAUHAK-UHFFFAOYSA-N
XLogP4.10
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide (CID 26905518) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide?
The InChIKey is UPLZRXBGLAUHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c1-2-27-18-15(7-5-11-22-18)20(26)25(13-9-10-13)12-17-23-24-19(28-17)14-6-3-4-8-16(14)21/h3-8,11,13H,2,9-10,12H2,1H3.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide has a molecular weight of 443.30 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 26905518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).